Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Clc1cc(Br)cc(Cl)c1S(=O)(=O)Nc2c(n(nc2C)C)C |
InChI | InChI | 1.03 | InChI=1S/C12H12BrCl2N3O2S/c1-6-11(7(2)18(3)16-6)17-21(19,20)12-9(14)4-8(13)5-10(12)15/h4-5,17H,1-3H3 |
InChIKey | InChI | 1.03 | SXCJBRNVTQTKSN-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1C |
SMILES | CACTVS | 3.385 | Cn1nc(C)c(N[S](=O)(=O)c2c(Cl)cc(Br)cc2Cl)c1C |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl |
SMILES | OpenEye OEToolkits | 1.9.2 | Cc1c(c(n(n1)C)C)NS(=O)(=O)c2c(cc(cc2Cl)Br)Cl |