Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc2ccc(Oc1ccccc1)cc2C(=O)O)c3ccc(cc3)C |
InChI | InChI | 1.03 | InChI=1S/C20H17NO5S/c1-14-7-10-17(11-8-14)27(24,25)21-19-12-9-16(13-18(19)20(22)23)26-15-5-3-2-4-6-15/h2-13,21H,1H3,(H,22,23) |
InChIKey | InChI | 1.03 | KFQWZEYUSVKRBI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Cc1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(O)=O |
SMILES | CACTVS | 3.370 | Cc1ccc(cc1)[S](=O)(=O)Nc2ccc(Oc3ccccc3)cc2C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3 |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1ccc(cc1)S(=O)(=O)Nc2ccc(cc2C(=O)O)Oc3ccccc3 |