Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C29H32FNO6S/c1-15-11-12-19(21(32)13-15)22-16(2)23-25-18(9-8-10-20(25)30)14-31(38(7,35)36)26(23)17(3)24(22)27(28(33)34)37-29(4,5)6/h8-13,27,32H,14H2,1-7H3,(H,33,34)/t27-/m0/s1 |
InChIKey | InChI | 1.03 | CBVIAFDVGLUIGG-MHZLTWQESA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(c(O)c1)c2c(C)c3c(N(Cc4cccc(F)c34)[S](C)(=O)=O)c(C)c2[C@H](OC(C)(C)C)C(O)=O |
SMILES | CACTVS | 3.385 | Cc1ccc(c(O)c1)c2c(C)c3c(N(Cc4cccc(F)c34)[S](C)(=O)=O)c(C)c2[CH](OC(C)(C)C)C(O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)O)c2c(c-3c(c(c2[C@@H](C(=O)O)OC(C)(C)C)C)N(Cc4c3c(ccc4)F)S(=O)(=O)C)C |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(c(c1)O)c2c(c-3c(c(c2C(C(=O)O)OC(C)(C)C)C)N(Cc4c3c(ccc4)F)S(=O)(=O)C)C |