5355 -OEChem-10051719143D 46 47 0 1 0 0 0 0 0999 V2000 4.9179 1.2515 -0.2893 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.4417 0.6935 1.8200 O 0 0 0 0 0 0 0 0 0 0 0 0 0.3585 -2.3795 0.6210 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6183 2.5357 0.3281 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1419 0.5466 0.0645 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6400 0.6756 -0.2668 N 0 0 1 0 0 0 0 0 0 0 0 0 -0.8727 0.6404 -0.4565 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8585 1.4288 -1.9877 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.2680 0.1513 -0.2187 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.2482 -0.8487 -1.3767 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7017 -1.2645 -1.5748 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4824 -0.4954 -0.5220 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2029 1.2281 -0.3834 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0384 1.3635 0.9553 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4659 1.8742 0.8575 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1049 0.4250 0.6698 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2396 -0.1574 0.4244 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2941 0.7089 0.2136 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4022 -1.5280 0.4125 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5643 0.1817 -0.0194 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6725 -2.0551 0.1792 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7536 -1.2003 -0.0367 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6452 -3.7758 0.5860 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0997 -0.4018 0.7169 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8697 -0.4049 -2.3056 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6194 -1.7147 -1.1417 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8337 -2.3456 -1.4645 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0315 -0.9868 -2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6019 -1.1164 0.3753 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4742 -0.2319 -0.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2244 1.9373 0.4507 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3504 1.7954 -1.3095 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3893 2.2310 1.1184 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9404 0.7175 1.8368 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5084 0.3881 -1.3708 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6891 2.5141 1.7182 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1989 1.0615 0.8636 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6160 2.4739 -0.0468 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1295 1.7826 0.2237 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8958 -3.1159 0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7332 -1.6315 -0.2229 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5966 0.9760 -2.5404 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5566 2.3366 -2.3620 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2971 -4.3021 0.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9950 -4.0920 -0.4028 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3337 -4.0676 1.3864 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 20 1 0 0 0 0 2 16 2 0 0 0 0 3 19 1 0 0 0 0 3 23 1 0 0 0 0 6 9 1 0 0 0 0 6 12 1 0 0 0 0 6 14 1 0 0 0 0 7 13 1 0 0 0 0 7 16 1 0 0 0 0 7 35 1 0 0 0 0 8 42 1 0 0 0 0 8 43 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 24 1 0 0 0 0 10 11 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 27 1 0 0 0 0 11 28 1 0 0 0 0 12 29 1 0 0 0 0 12 30 1 0 0 0 0 13 31 1 0 0 0 0 13 32 1 0 0 0 0 14 15 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 17 1 0 0 0 0 17 18 1 0 0 0 0 17 19 2 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 1 0 0 0 0 20 22 1 0 0 0 0 21 22 2 0 0 0 0 21 40 1 0 0 0 0 22 41 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 23 46 1 0 0 0 0 M END > DB00391 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/BGRJTUBHPOOWDU-UHFFFAOYSA-N/SDF?record_type=3d > CCN1CCCC1CNC(=O)C1=C(OC)C=CC(=C1)S(N)(=O)=O > InChI=1S/C15H23N3O4S/c1-3-18-8-4-5-11(18)10-17-15(19)13-9-12(23(16,20)21)6-7-14(13)22-2/h6-7,9,11H,3-5,8,10H2,1-2H3,(H,17,19)(H2,16,20,21) > BGRJTUBHPOOWDU-UHFFFAOYSA-N > C15H23N3O4S > 341.426 > 341.140926929 > 5 > 46 > 0.960328051926854 > 36.17679678393971 > 1 > 2 > 0 > 1 > N-[(1-ethylpyrrolidin-2-yl)methyl]-2-methoxy-5-sulfamoylbenzamide > 1.20 > 0.21877044980005902 > -2.80 > 0 > 1 > 2 > 1 > 13.510776926946734 > 10.239751559327397 > 8.390642227473112 > 101.73 > 88.63310000000001 > 6 > 1 > 5.37e-01 g/l > tetrahydrofolic acid > 0 $$$$