Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H17NO5S/c22-19-11-10-17(13-18(19)20(23)24)27(25,26)21-16-8-6-15(7-9-16)12-14-4-2-1-3-5-14/h1-11,13,21-22H,12H2,(H,23,24) |
InChIKey | InChI | 1.06 | RLHVRGDXIJZLQC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3ccccc3)cc2 |
SMILES | CACTVS | 3.385 | OC(=O)c1cc(ccc1O)[S](=O)(=O)Nc2ccc(Cc3ccccc3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2ccc(cc2)NS(=O)(=O)c3ccc(c(c3)C(=O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)Cc2ccc(cc2)NS(=O)(=O)c3ccc(c(c3)C(=O)O)O |