Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C1C=CC(=NN1)S(=O)(=O)c3oc2ccc(Cl)cc2c3C |
SMILES_CANONICAL | CACTVS | 3.341 | Cc1c2cc(Cl)ccc2oc1[S](=O)(=O)C3=NNC(=O)C=C3 |
SMILES | CACTVS | 3.341 | Cc1c2cc(Cl)ccc2oc1[S](=O)(=O)C3=NNC(=O)C=C3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl |
SMILES | OpenEye OEToolkits | 1.5.0 | Cc1c2cc(ccc2oc1S(=O)(=O)C3=NNC(=O)C=C3)Cl |
InChI | InChI | 1.03 | InChI=1S/C13H9ClN2O4S/c1-7-9-6-8(14)2-3-10(9)20-13(7)21(18,19)12-5-4-11(17)15-16-12/h2-6H,1H3,(H,15,17) |
InChIKey | InChI | 1.03 | FXFPQPNUMWQRAO-UHFFFAOYSA-N |