447400 -OEChem-10051720523D 28 28 0 0 0 0 0 0 0999 V2000 1.7568 1.1119 -0.8023 S 0 0 0 0 0 0 0 0 0 0 0 0 5.0462 -1.6298 0.2181 S 0 0 0 0 0 0 0 0 0 0 0 0 1.9272 0.2909 -1.9940 O 0 0 0 0 0 0 0 0 0 0 0 0 2.0706 2.5331 -0.8642 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8044 0.6010 1.0979 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8954 -2.6053 -0.5813 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9185 -1.5692 -0.5998 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6483 0.4113 0.4763 N 0 0 0 0 0 0 0 0 0 0 0 0 0.1098 0.9544 -0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4161 -0.9918 0.8481 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6275 -0.1875 -0.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4682 1.9713 0.5172 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9428 -0.3127 -0.1083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5208 0.7043 0.6517 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7835 1.8462 0.9645 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6811 -1.6151 1.4200 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6952 -1.5131 -0.4458 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9803 1.0268 1.2293 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6279 -1.0233 1.6081 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0762 -1.5739 -0.0149 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1734 -0.9705 -1.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0892 2.8662 0.7791 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2273 2.6413 1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0161 -1.0596 2.3023 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4826 -2.6464 1.7279 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1841 -0.2576 0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4375 -2.3980 -0.6974 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4101 -3.4087 -0.8093 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 8 1 0 0 0 0 1 9 1 0 0 0 0 2 16 1 0 0 0 0 2 27 1 0 0 0 0 5 14 1 0 0 0 0 5 26 1 0 0 0 0 6 17 1 0 0 0 0 6 28 1 0 0 0 0 7 17 2 0 0 0 0 8 10 1 0 0 0 0 8 18 1 0 0 0 0 9 11 2 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 10 19 1 0 0 0 0 10 20 1 0 0 0 0 11 13 1 0 0 0 0 11 21 1 0 0 0 0 12 15 2 0 0 0 0 12 22 1 0 0 0 0 13 14 2 0 0 0 0 13 17 1 0 0 0 0 14 15 1 0 0 0 0 15 23 1 0 0 0 0 16 24 1 0 0 0 0 16 25 1 0 0 0 0 M END > DB06862 > drugbank > PUBCHEM > https://pubchem.ncbi.nlm.nih.gov/rest/pug/compound/inchikey/UCQUNSCHVXCSCJ-UHFFFAOYSA-N/SDF?record_type=3d > OC(=O)C1=C(O)C=CC(=C1)S(=O)(=O)NCCS > InChI=1S/C9H11NO5S2/c11-8-2-1-6(5-7(8)9(12)13)17(14,15)10-3-4-16/h1-2,5,10-11,16H,3-4H2,(H,12,13) > UCQUNSCHVXCSCJ-UHFFFAOYSA-N > C9H11NO5S2 > 277.317 > 277.007863847 > 5 > 28 > -1.001679901795483 > 25.65054620385587 > 1 > 4 > 0 > 1 > 2-hydroxy-5-[(2-sulfanylethyl)sulfamoyl]benzoic acid > -0.16 > 1.2123301616666669 > -2.62 > 0 > -1 > 1 > -1 > 9.890547784452263 > 2.436385924656844 > -6.41358045075396 > 103.69999999999999 > 64.8246 > 4 > 1 > 6.59e-01 g/l > tetrahydrofolic acid > 0 $$$$