| PDB CCD ID: | VWS |
| Number of entries in BioLiP: | 2 |
| Chemical formula: | C16 H12 Cl N O5 S |
| InChI: | InChI=1S/C16H12ClNO5S/c1-9-15(16(19)20)13-8-11(4-7-14(13)23-9)18-24(21,22)12-5-2-10(17)3-6-12/h2-8,18H,1H3,(H,19,20) |
| InChIKey: | UZVVWRBCUSWUON-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| OpenEye OEToolkits 1.7.6 | Cc1c(c2cc(ccc2o1)NS(=O)(=O)c3ccc(cc3)Cl)C(=O)O | | CACTVS 3.370 | Cc1oc2ccc(N[S](=O)(=O)c3ccc(Cl)cc3)cc2c1C(O)=O | | ACDLabs 12.01 | Clc1ccc(cc1)S(=O)(=O)Nc3cc2c(oc(c2C(=O)O)C)cc3 |
|
| Name: | 5-{[(4-chlorophenyl)sulfonyl]amino}-2-methyl-1-benzofuran-3-carboxylic acid |
| ZINC: | ZINC000004660894 |
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