Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc3cc(c1ccc(nc1)N2CCNCC2)cc(Cl)c3S(=O)(=O)Nc4c(n(nc4C)C)C |
InChI | InChI | 1.03 | InChI=1S/C21H24Cl2N6O2S/c1-13-20(14(2)28(3)26-13)27-32(30,31)21-17(22)10-16(11-18(21)23)15-4-5-19(25-12-15)29-8-6-24-7-9-29/h4-5,10-12,24,27H,6-9H2,1-3H3 |
InChIKey | InChI | 1.03 | HOIAFTVGAXSASA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(cc2Cl)c3ccc(nc3)N4CCNCC4)c1C |
SMILES | CACTVS | 3.385 | Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(cc2Cl)c3ccc(nc3)N4CCNCC4)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)c3ccc(nc3)N4CCNCC4)Cl |