129211 -OEChem-10051719213D 56 57 0 1 0 0 0 0 0999 V2000 5.6658 -1.7427 0.4095 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7765 -1.3663 0.5700 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4404 1.1282 -0.0737 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0730 -2.9985 -0.0252 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0316 -1.4147 0.0290 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6291 1.2609 0.9171 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3134 -0.0940 -0.0522 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5234 -1.6218 2.1073 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0769 0.2394 0.2718 C 0 0 1 0 0 0 0 0 0 0 0 0 0.9560 0.0505 -0.9779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4195 0.3316 -0.7358 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1163 1.6718 0.8046 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4921 -1.5348 -0.1188 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2690 -0.6964 -0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6212 -0.4367 -0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9222 1.6196 -0.9206 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9341 -1.8820 -0.4525 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1237 0.8514 -0.2878 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2741 1.8795 -0.6965 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0390 -0.9854 0.1968 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4631 0.3318 0.3726 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9021 -1.9271 -0.3633 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8629 2.4733 -0.2880 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7505 0.7072 -0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.1894 -1.5517 -0.7473 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6138 -0.2346 -0.5712 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8025 2.6130 0.4973 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4706 3.3283 0.5758 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4390 -0.4070 1.0829 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5994 0.6998 -1.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8822 -0.9682 -1.3755 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9384 0.2816 0.6611 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5880 1.8026 1.6348 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1050 1.9262 1.1985 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1435 2.3991 0.0275 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2398 -1.9825 0.8506 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8590 -1.9959 -0.8817 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8631 -1.6935 -0.1766 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2720 2.4286 -1.2432 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1995 -1.4689 -1.4351 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0523 -2.9708 -0.4909 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5910 2.9034 -0.8614 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3361 -1.2741 2.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9984 -2.3576 2.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5884 -2.9586 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7406 2.7739 -1.3342 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3756 3.1659 0.4067 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9358 2.5111 -0.0716 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1323 1.7133 0.1344 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8628 -2.2856 -1.1803 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6188 0.0552 -0.8637 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5248 3.1047 1.1583 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1490 2.6787 -0.5417 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5730 4.3794 0.2916 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7414 2.8542 -0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0609 3.2739 1.5897 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 8 1 0 0 0 0 1 15 1 0 0 0 0 2 17 1 0 0 0 0 2 20 1 0 0 0 0 3 18 1 0 0 0 0 3 23 1 0 0 0 0 6 21 1 0 0 0 0 6 27 1 0 0 0 0 7 9 1 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 8 43 1 0 0 0 0 8 44 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 29 1 0 0 0 0 10 11 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 14 2 0 0 0 0 11 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 15 1 0 0 0 0 14 38 1 0 0 0 0 15 18 2 0 0 0 0 16 19 2 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 17 41 1 0 0 0 0 18 19 1 0 0 0 0 19 42 1 0 0 0 0 20 21 1 0 0 0 0 20 22 2 0 0 0 0 21 24 2 0 0 0 0 22 25 1 0 0 0 0 22 45 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 23 48 1 0 0 0 0 24 26 1 0 0 0 0 24 49 1 0 0 0 0 25 26 2 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 28 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 28 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 M END > DB00706 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/DRHKJLXJIQTDTD-OAHLLOKOSA-N/SDF?record_type=3d > CCOC1=CC=CC=C1OCCN[C@H](C)CC1=CC(=C(OC)C=C1)S(N)(=O)=O > InChI=1S/C20H28N2O5S/c1-4-26-17-7-5-6-8-18(17)27-12-11-22-15(2)13-16-9-10-19(25-3)20(14-16)28(21,23)24/h5-10,14-15,22H,4,11-13H2,1-3H3,(H2,21,23,24)/t15-/m1/s1 > DRHKJLXJIQTDTD-OAHLLOKOSA-N > C20H28N2O5S > 408.512 > 408.171892706 > 6 > 56 > 0.9928841016026551 > 43.95205639906874 > 1 > 2 > 0 > 1 > 5-[(2R)-2-{[2-(2-ethoxyphenoxy)ethyl]amino}propyl]-2-methoxybenzene-1-sulfonamide > 3.05 > 2.038114116278142 > -4.79 > 0 > 1 > 2 > 1 > 9.932656072654002 > 9.284809828172845 > 99.88 > 108.8649 > 11 > 1 > 6.55e-03 g/l > tetrahydrofolic acid > 0 $$$$