| PDB CCD ID: | NX4 |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C20 H15 Cl2 N O6 S3 |
| InChI: | InChI=1S/C20H15Cl2NO6S3/c1-29-16-5-3-12(9-13(16)20(25)26)32(27,28)23-19(24)18-17(6-7-30-18)31-10-11-2-4-14(21)15(22)8-11/h2-9H,10H2,1H3,(H,23,24)(H,25,26) |
| InChIKey: | HBYORZQNJPQOQI-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| ACDLabs 12.01 | O=C(O)c1cc(ccc1OC)S(=O)(=O)NC(=O)c3sccc3SCc2cc(Cl)c(Cl)cc2 | | OpenEye OEToolkits 1.7.0 | COc1ccc(cc1C(=O)O)S(=O)(=O)NC(=O)c2c(ccs2)SCc3ccc(c(c3)Cl)Cl | | CACTVS 3.370 | COc1ccc(cc1C(O)=O)[S](=O)(=O)NC(=O)c2sccc2SCc3ccc(Cl)c(Cl)c3 |
|
| Name: | 5-[({3-[(3,4-dichlorobenzyl)sulfanyl]thiophen-2-yl}carbonyl)sulfamoyl]-2-methoxybenzoic acid |
| ChEMBL: | CHEMBL1910889 |
| ZINC: | ZINC000073140965 |
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