4369101 -OEChem-10311711363D 42 44 0 1 0 0 0 0 0999 V2000 0.2119 -1.1803 -0.0640 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.7314 -1.4407 -0.4390 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.5141 -0.5522 -0.2953 S 0 0 0 0 0 0 0 0 0 0 0 0 0.2669 -2.1579 1.0046 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4111 -1.5403 -1.4526 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6217 -2.0057 -0.2412 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2442 0.2811 0.6517 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5884 0.4416 -1.6465 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1804 0.2047 0.3408 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.4593 2.6867 -0.0889 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9294 -0.0552 -1.8863 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7131 1.7353 0.9958 C 0 0 2 0 0 0 0 0 0 0 0 0 0.6138 1.0679 1.4411 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7445 0.7446 0.5176 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4090 -0.5033 0.0385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1627 0.9233 0.4853 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5991 -0.0696 0.3909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8185 -0.1834 -0.0155 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6773 3.3967 -0.4433 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4164 0.3239 -0.6646 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1378 -0.7258 1.4936 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7850 0.0589 -0.6169 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5064 -0.9908 1.5411 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3300 -0.5985 0.4859 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9782 0.1390 -1.5330 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1063 2.2728 1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3418 1.8447 1.7082 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4506 0.4528 2.3353 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6840 1.8099 0.8233 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0719 2.2144 -0.9048 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2260 3.7657 0.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3354 2.8205 -1.0998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3930 4.2846 -1.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9934 0.8363 -1.5252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5123 -1.0366 2.3258 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9300 -1.5024 2.4006 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3834 -0.8358 0.5880 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9373 0.9574 -2.0644 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5080 -0.5868 -2.6589 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4354 0.6598 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4657 0.5142 -2.4388 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1534 -0.9417 -1.5000 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 9 1 0 0 0 0 1 15 1 0 0 0 0 2 15 1 0 0 0 0 2 18 1 0 0 0 0 3 6 2 0 0 0 0 3 7 2 0 0 0 0 3 11 1 0 0 0 0 3 18 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 9 13 1 0 0 0 0 9 17 1 0 0 0 0 10 12 1 0 0 0 0 10 19 1 0 0 0 0 10 30 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 13 1 0 0 0 0 12 14 1 0 0 0 0 12 26 1 0 0 0 0 13 27 1 0 0 0 0 13 28 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 16 18 2 0 0 0 0 16 29 1 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 23 2 0 0 0 0 21 35 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 36 1 0 0 0 0 24 37 1 0 0 0 0 25 40 1 0 0 0 0 25 41 1 0 0 0 0 25 42 1 0 0 0 0 M END > DB03221 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/RMOXCYSVWCHXII-GFCCVEGCSA-N/SDF?record_type=3d > CN[C@@H]1CN(C2=CC(OC)=CC=C2)S(=O)(=O)C2=C1C=C(S2)S(N)(=O)=O > InChI=1S/C14H17N3O5S3/c1-16-12-8-17(9-4-3-5-10(6-9)22-2)25(20,21)14-11(12)7-13(23-14)24(15,18)19/h3-7,12,16H,8H2,1-2H3,(H2,15,18,19)/t12-/m1/s1 > RMOXCYSVWCHXII-GFCCVEGCSA-N > C14H17N3O5S3 > 403.497 > 403.033032739 > 6 > 42 > 38.96155015670875 > 1 > 2 > 0 > 1 > (4S)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-2H,3H,4H-1lambda6-thieno[3,2-e][1,2]thiazine-6-sulfonamide > 0.53 > 0.5579611400891828 > -3.19 > 0 > 3 > 0 > 8.166352990858122 > 6.441958697867372 > 118.8 > 92.78279999999997 > 4 > 1 > 2.63e-01 g/l > (4S)-2-(3-methoxyphenyl)-4-(methylamino)-1,1-dioxo-3H,4H-1lambda6-thieno[3,2-e][1,2]thiazine-6-sulfonamide > 0 $$$$