3092847 -OEChem-10051720343D 30 31 0 0 0 0 0 0 0999 V2000 -3.9197 0.2606 0.1109 S 0 0 0 0 0 0 0 0 0 0 0 0 2.7179 0.7397 2.0509 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2887 -0.9725 0.7918 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4100 1.5374 0.6110 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0902 -3.0751 0.1414 O 0 5 0 0 0 0 0 0 0 0 0 0 1.9588 -1.9376 -0.0415 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0347 0.5471 -0.2283 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7087 -1.9911 0.0293 N 0 3 0 0 0 0 0 0 0 0 0 0 -4.3341 0.1234 -1.5412 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7348 0.5938 -1.4975 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1705 0.2745 -1.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3162 0.8423 0.2610 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9322 0.6842 0.8487 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6137 0.4561 -0.1456 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0344 -0.7781 -0.0197 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1478 1.6290 -0.1919 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 0.3354 0.0120 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4258 -0.8381 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5392 1.5690 -0.1133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6421 1.6078 -1.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3156 -0.1242 -2.2090 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8891 0.6948 -1.8458 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3196 -0.8119 -1.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5690 1.9071 0.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0565 0.2936 0.8484 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3377 2.5969 -0.2907 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9411 -1.7909 0.1488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1055 2.4950 -0.1582 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6950 -0.7810 -1.8686 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7758 0.9346 -1.9908 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 9 1 0 0 0 0 1 17 1 0 0 0 0 2 13 2 0 0 0 0 5 8 1 0 0 0 0 6 8 2 0 0 0 0 7 10 1 0 0 0 0 7 13 1 0 0 0 0 7 14 1 0 0 0 0 8 15 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 20 1 0 0 0 0 10 21 1 0 0 0 0 11 12 1 0 0 0 0 11 22 1 0 0 0 0 11 23 1 0 0 0 0 12 13 1 0 0 0 0 12 24 1 0 0 0 0 12 25 1 0 0 0 0 14 15 2 0 0 0 0 14 16 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 26 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 27 1 0 0 0 0 19 28 1 0 0 0 0 M CHG 2 5 -1 8 1 M END > DB04394 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/FPCPYSKJIRSWIG-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=CC=C(N2CCCC2=O)C(=C1)[N+]([O-])=O > InChI=1S/C10H11N3O5S/c11-19(17,18)7-3-4-8(9(6-7)13(15)16)12-5-1-2-10(12)14/h3-4,6H,1-2,5H2,(H2,11,17,18) > FPCPYSKJIRSWIG-UHFFFAOYSA-N > C10H11N3O5S > 285.276 > 285.041941167 > 5 > 30 > -0.002506329377655133 > 25.961045800232938 > 1 > 1 > 0 > 1 > 3-nitro-4-(2-oxopyrrolidin-1-yl)benzene-1-sulfonamide > 0.32 > -0.15195982499999983 > -2.65 > 0 > 0 > 2 > 0 > 9.59987200203101 > -3.950726551747759 > 123.60999999999999 > 65.41060000000002 > 3 > 1 > 6.34e-01 g/l > biotin > 0 $$$$