Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(c1ccc(OC(F)(F)F)cc1)N4C(C(=O)NCc2ccc(OC)cc2)CN(c3nnc(Cl)cc3)CC4 |
SMILES_CANONICAL | CACTVS | 3.370 | COc1ccc(CNC(=O)[C@H]2CN(CCN2[S](=O)(=O)c3ccc(OC(F)(F)F)cc3)c4ccc(Cl)nn4)cc1 |
SMILES | CACTVS | 3.370 | COc1ccc(CNC(=O)[CH]2CN(CCN2[S](=O)(=O)c3ccc(OC(F)(F)F)cc3)c4ccc(Cl)nn4)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)CNC(=O)[C@H]2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc(cc1)CNC(=O)C2CN(CCN2S(=O)(=O)c3ccc(cc3)OC(F)(F)F)c4ccc(nn4)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H23ClF3N5O5S/c1-37-17-4-2-16(3-5-17)14-29-23(34)20-15-32(22-11-10-21(25)30-31-22)12-13-33(20)39(35,36)19-8-6-18(7-9-19)38-24(26,27)28/h2-11,20H,12-15H2,1H3,(H,29,34)/t20-/m1/s1 |
InChIKey | InChI | 1.03 | HCWZBSIWWSGFFI-HXUWFJFHSA-N |