9564 -OEChem-01272015573D 35 35 0 0 0 0 0 0 0999 V2000 -1.3375 2.0525 0.0596 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1801 2.4479 1.4460 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1367 2.8535 -0.8473 O 0 0 0 0 0 0 0 0 0 0 0 0 1.3421 1.0527 1.2709 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4521 1.2006 -0.7497 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2031 1.7861 -0.6318 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6015 -3.4448 -0.0506 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8479 -0.7825 -0.3939 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7474 0.7366 -0.2670 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2083 -1.2884 0.0874 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0103 0.4185 0.0266 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3034 -2.8032 -0.0026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3573 1.3171 0.0723 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8108 -0.4166 1.1125 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7244 0.0036 -1.0844 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 -2.1411 -0.0246 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 -1.7063 1.0866 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2551 -1.2862 -1.1101 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -1.0773 -1.4390 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0487 -1.2560 0.1899 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8764 1.0491 0.7749 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5128 1.2287 -0.8758 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3736 -0.9803 1.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 -0.8399 -0.5154 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3593 1.4362 -1.7328 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3132 2.0217 -1.6262 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2840 -3.1428 0.3451 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5386 -3.2819 0.6173 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1721 -3.1436 -1.0347 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2487 -0.0983 1.9849 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8777 0.6505 -1.9426 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1848 -2.3633 1.9382 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8147 -1.6141 -1.9825 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1236 -3.7609 -0.8570 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4616 -4.0658 0.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 6 1 0 0 0 0 1 11 1 0 0 0 0 4 13 2 0 0 0 0 5 9 1 0 0 0 0 5 13 1 0 0 0 0 5 25 1 0 0 0 0 6 13 1 0 0 0 0 6 26 1 0 0 0 0 7 16 1 0 0 0 0 7 34 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 19 1 0 0 0 0 8 20 1 0 0 0 0 9 21 1 0 0 0 0 9 22 1 0 0 0 0 10 12 1 0 0 0 0 10 23 1 0 0 0 0 10 24 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 32 1 0 0 0 0 18 33 1 0 0 0 0 M END > DB13406 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/VDTNNGKXZGSZIP-UHFFFAOYSA-N/SDF?record_type=3d > CCCCNC(=O)NS(=O)(=O)C1=CC=C(N)C=C1 > InChI=1S/C11H17N3O3S/c1-2-3-8-13-11(15)14-18(16,17)10-6-4-9(12)5-7-10/h4-7H,2-3,8,12H2,1H3,(H2,13,14,15) > VDTNNGKXZGSZIP-UHFFFAOYSA-N > C11H17N3O3S > 271.34 > 271.099062593 > 4 > 35 > -0.9977682372148617 > 28.425814298037608 > 1 > 3 > 0 > 1 > 1-(4-aminobenzenesulfonyl)-3-butylurea > 1.28 > 0.9529884839999998 > -2.60 > 0 > -1 > 1 > -1 > 18.075358520759725 > 4.34975246319121 > 2.112030084222945 > 101.29 > 69.92920000000001 > 4 > 1 > 6.86e-01 g/l > prinomastat > 0 $$$$