Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | CN(C)C1CCCCC1Nc1ccc(c(F)c1)S(=O)(=O)NC(=O)c1cc(Cl)c(OCC2CCCC2)cc1F |
InChI | InChI | 1.06 | InChI=1S/C27H34ClF2N3O4S/c1-33(2)24-10-6-5-9-23(24)31-18-11-12-26(22(30)13-18)38(35,36)32-27(34)19-14-20(28)25(15-21(19)29)37-16-17-7-3-4-8-17/h11-15,17,23-24,31H,3-10,16H2,1-2H3,(H,32,34)/t23-,24-/m0/s1 |
InChIKey | InChI | 1.06 | ONUSAXHNRAIZSE-ZEQRLZLVSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(C)[C@H]1CCCC[C@@H]1Nc2ccc(c(F)c2)[S](=O)(=O)NC(=O)c3cc(Cl)c(OCC4CCCC4)cc3F |
SMILES | CACTVS | 3.385 | CN(C)[CH]1CCCC[CH]1Nc2ccc(c(F)c2)[S](=O)(=O)NC(=O)c3cc(Cl)c(OCC4CCCC4)cc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CN(C)[C@H]1CCCC[C@@H]1Nc2ccc(c(c2)F)S(=O)(=O)NC(=O)c3cc(c(cc3F)OCC4CCCC4)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | CN(C)C1CCCCC1Nc2ccc(c(c2)F)S(=O)(=O)NC(=O)c3cc(c(cc3F)OCC4CCCC4)Cl |