Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Clc1ccccc1S(=O)(=O)NC(=O)Nc2nc(nc(OC)n2)C |
SMILES_CANONICAL | CACTVS | 3.341 | COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2Cl)n1 |
SMILES | CACTVS | 3.341 | COc1nc(C)nc(NC(=O)N[S](=O)(=O)c2ccccc2Cl)n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1nc(nc(n1)OC)NC(=O)NS(=O)(=O)c2ccccc2Cl |
InChI | InChI | 1.03 | InChI=1S/C12H12ClN5O4S/c1-7-14-10(17-12(15-7)22-2)16-11(19)18-23(20,21)9-6-4-3-5-8(9)13/h3-6H,1-2H3,(H2,14,15,16,17,18,19) |
InChIKey | InChI | 1.03 | VJYIFXVZLXQVHO-UHFFFAOYSA-N |