Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FC(F)(F)c1ccc(nc1)S(=O)(=O)C(C)(C)C(=O)N1CCN(Cc2ccc(Cl)cc2)CC1 |
InChI | InChI | 1.06 | InChI=1S/C21H23ClF3N3O3S/c1-20(2,32(30,31)18-8-5-16(13-26-18)21(23,24)25)19(29)28-11-9-27(10-12-28)14-15-3-6-17(22)7-4-15/h3-8,13H,9-12,14H2,1-2H3 |
InChIKey | InChI | 1.06 | MFQQEGNFXSEGTC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(C(=O)N1CCN(CC1)Cc2ccc(Cl)cc2)[S](=O)(=O)c3ccc(cn3)C(F)(F)F |
SMILES | CACTVS | 3.385 | CC(C)(C(=O)N1CCN(CC1)Cc2ccc(Cl)cc2)[S](=O)(=O)c3ccc(cn3)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)N1CCN(CC1)Cc2ccc(cc2)Cl)S(=O)(=O)c3ccc(cn3)C(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CC(C)(C(=O)N1CCN(CC1)Cc2ccc(cc2)Cl)S(=O)(=O)c3ccc(cn3)C(F)(F)F |