Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc1nc(OC)cc(Cl)n1)NS(=O)(=O)c2ccccc2C(=O)OCC |
SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(Cl)cc(OC)n2 |
SMILES | CACTVS | 3.341 | CCOC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(Cl)cc(OC)n2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC |
SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)c1ccccc1S(=O)(=O)NC(=O)Nc2nc(cc(n2)Cl)OC |
InChI | InChI | 1.03 | InChI=1S/C15H15ClN4O6S/c1-3-26-13(21)9-6-4-5-7-10(9)27(23,24)20-15(22)19-14-17-11(16)8-12(18-14)25-2/h4-8H,3H2,1-2H3,(H2,17,18,19,20,22) |
InChIKey | InChI | 1.03 | NSWAMPCUPHPTTC-UHFFFAOYSA-N |