Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(cc(Cl)c1S(=O)(=O)N(c2c(n(nc2C)C)C)C(F)F)CCCC3CCNCC3 |
InChI | InChI | 1.03 | InChI=1S/C21H28Cl2F2N4O2S/c1-13-19(14(2)28(3)27-13)29(21(24)25)32(30,31)20-17(22)11-16(12-18(20)23)6-4-5-15-7-9-26-10-8-15/h11-12,15,21,26H,4-10H2,1-3H3 |
InChIKey | InChI | 1.03 | WZELAXINRXHZED-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(N(C(F)F)[S](=O)(=O)c2c(Cl)cc(CCCC3CCNCC3)cc2Cl)c1C |
SMILES | CACTVS | 3.385 | Cn1nc(C)c(N(C(F)F)[S](=O)(=O)c2c(Cl)cc(CCCC3CCNCC3)cc2Cl)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | Cc1c(c(n(n1)C)C)N(C(F)F)S(=O)(=O)c2c(cc(cc2Cl)CCCC3CCNCC3)Cl |