Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NCc1ccc(Cc2ccc(O)c(O)c2)cc1)c1ccccc1 |
InChI | InChI | 1.03 | InChI=1S/C20H19NO4S/c22-19-11-10-17(13-20(19)23)12-15-6-8-16(9-7-15)14-21-26(24,25)18-4-2-1-3-5-18/h1-11,13,21-23H,12,14H2 |
InChIKey | InChI | 1.03 | QNXMAYYQTOPLQV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccccc3)cc2)cc1O |
SMILES | CACTVS | 3.385 | Oc1ccc(Cc2ccc(CN[S](=O)(=O)c3ccccc3)cc2)cc1O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)Cc3ccc(c(c3)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)S(=O)(=O)NCc2ccc(cc2)Cc3ccc(c(c3)O)O |