| PDB CCD ID: | 62L |
| Number of entries in BioLiP: | 1 |
| Chemical formula: | C16 H17 N O4 S |
| InChI: | InChI=1S/C16H17NO4S/c1-10-7-8-12(16(18)19)13(9-10)17-15-11(2)5-4-6-14(15)22(3,20)21/h4-9,17H,1-3H3,(H,18,19) |
| InChIKey: | ATXRRHMCJFBFND-UHFFFAOYSA-N |
| SMILES: | | Software | SMILES |
|---|
| CACTVS 3.385 | Cc1ccc(C(O)=O)c(Nc2c(C)cccc2[S](C)(=O)=O)c1 | | OpenEye OEToolkits 1.9.2 | Cc1ccc(c(c1)Nc2c(cccc2S(=O)(=O)C)C)C(=O)O | | ACDLabs 12.01 | c2ccc(C)c(Nc1c(C(O)=O)ccc(c1)C)c2S(=O)(=O)C |
|
| Name: | 4-methyl-2-{[2-methyl-6-(methylsulfonyl)phenyl]amino}benzoic acid |
| ZINC: | ZINC000584905151 |
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