Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=P(O)(O)C(NS(=O)(=O)c2ccc(c1ccc(OC)cc1)cc2)C(C)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N[C@H](C(C)C)[P](O)(O)=O |
SMILES | CACTVS | 3.341 | COc1ccc(cc1)c2ccc(cc2)[S](=O)(=O)N[CH](C(C)C)[P](O)(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)[C@@H](NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)C(NS(=O)(=O)c1ccc(cc1)c2ccc(cc2)OC)P(=O)(O)O |
InChI | InChI | 1.03 | InChI=1S/C17H22NO6PS/c1-12(2)17(25(19,20)21)18-26(22,23)16-10-6-14(7-11-16)13-4-8-15(24-3)9-5-13/h4-12,17-18H,1-3H3,(H2,19,20,21)/t17-/m0/s1 |
InChIKey | InChI | 1.03 | BZVYQWLRCHLAGK-KRWDZBQOSA-N |