Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(N(Cc1sccc1)CC(O)C(NC(=O)c2cccc(F)c2C)Cc3ccccc3)c4cccc(OC)c4 |
SMILES_CANONICAL | CACTVS | 3.341 | COc1cccc(c1)[S](=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c3cccc(F)c3C)Cc4sccc4 |
SMILES | CACTVS | 3.341 | COc1cccc(c1)[S](=O)(=O)N(C[CH](O)[CH](Cc2ccccc2)NC(=O)c3cccc(F)c3C)Cc4sccc4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c(cccc1F)C(=O)N[C@@H](Cc2ccccc2)[C@@H](C[N@](Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c(cccc1F)C(=O)NC(Cc2ccccc2)C(CN(Cc3cccs3)S(=O)(=O)c4cccc(c4)OC)O |
InChI | InChI | 1.03 | InChI=1S/C30H31FN2O5S2/c1-21-26(14-7-15-27(21)31)30(35)32-28(17-22-9-4-3-5-10-22)29(34)20-33(19-24-12-8-16-39-24)40(36,37)25-13-6-11-23(18-25)38-2/h3-16,18,28-29,34H,17,19-20H2,1-2H3,(H,32,35)/t28-,29+/m0/s1 |
InChIKey | InChI | 1.03 | AXUYLLZCOSCKTG-URLMMPGGSA-N |