6852129 -OEChem-10051721273D 20 21 0 0 0 0 0 0 0999 V2000 -3.1413 0.0381 -0.0836 S 0 0 0 0 0 0 0 0 0 0 0 0 -0.5702 1.5012 -0.0445 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.5267 1.3091 -0.6983 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5502 -1.2234 -0.7001 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5821 0.7408 0.0485 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6616 -1.0763 -0.0377 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7371 0.0527 1.5337 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9310 0.6535 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6795 -0.7218 -0.0154 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4025 0.0071 -0.0535 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2373 1.1685 0.0048 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7760 -1.6111 0.0073 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3044 0.2668 0.0268 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0791 -1.1053 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4089 2.2411 0.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6112 -2.6849 0.0084 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9176 -1.7971 0.0456 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5875 -0.8030 2.0837 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5596 0.9062 2.0786 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5584 1.7132 0.0445 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 7 1 0 0 0 0 1 10 1 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 5 13 1 0 0 0 0 5 20 1 0 0 0 0 6 9 1 0 0 0 0 6 10 2 0 0 0 0 7 18 1 0 0 0 0 7 19 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 12 1 0 0 0 0 11 13 2 0 0 0 0 11 15 1 0 0 0 0 12 14 2 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 14 17 1 0 0 0 0 M END > DB08765 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/NOOBQTYVTDBXTL-UHFFFAOYSA-N/SDF?record_type=3d > NS(=O)(=O)C1=NC2=C(S1)C=C(O)C=C2 > InChI=1S/C7H6N2O3S2/c8-14(11,12)7-9-5-2-1-4(10)3-6(5)13-7/h1-3,10H,(H2,8,11,12) > NOOBQTYVTDBXTL-UHFFFAOYSA-N > C7H6N2O3S2 > 230.264 > 229.981983448 > 4 > 20 > -0.24457421184282346 > 20.906794106362597 > 1 > 2 > 0 > 1 > 6-hydroxy-1,3-benzothiazole-2-sulfonamide > 0.91 > 1.1001872183333332 > -2.29 > 0 > 0 > 2 > 0 > 9.22043211924666 > 7.504263702503899 > -1.9120983906648104 > 93.28 > 50.74080000000001 > 1 > 1 > 1.18e+00 g/l > tetrahydrofolic acid > 0 $$$$