Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc1ccc(cc1C)CN4C(=O)C(C=3Nc2c(cc(cc2)NS(=O)(=O)C)S(=O)(=O)C=3)=C(O)C4C(C)(C)CC |
SMILES_CANONICAL | CACTVS | 3.341 | CCC(C)(C)[C@@H]1N(Cc2ccc(F)c(C)c2)C(=O)C(=C1O)C3=C[S](=O)(=O)c4cc(N[S](C)(=O)=O)ccc4N3 |
SMILES | CACTVS | 3.341 | CCC(C)(C)[CH]1N(Cc2ccc(F)c(C)c2)C(=O)C(=C1O)C3=C[S](=O)(=O)c4cc(N[S](C)(=O)=O)ccc4N3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCC(C)(C)[C@H]1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O |
SMILES | OpenEye OEToolkits | 1.5.0 | CCC(C)(C)C1C(=C(C(=O)N1Cc2ccc(c(c2)C)F)C3=CS(=O)(=O)c4cc(ccc4N3)NS(=O)(=O)C)O |
InChI | InChI | 1.03 | InChI=1S/C26H30FN3O6S2/c1-6-26(3,4)24-23(31)22(25(32)30(24)13-16-7-9-18(27)15(2)11-16)20-14-38(35,36)21-12-17(29-37(5,33)34)8-10-19(21)28-20/h7-12,14,24,28-29,31H,6,13H2,1-5H3/t24-/m1/s1 |
InChIKey | InChI | 1.03 | FIWSMJXHIVIUAK-XMMPIXPASA-N |