3,4-bis(chloranyl)-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoic acid

Systemtic Name: 3,4-bis(chloranyl)-5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoic acid Openeye Name: 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoic acid CAS Name: 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid IUPAC Name: 3,4-dichloro-5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoic acid Traditional Name: 3,4-dichloro-5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid Formula: C18H15Cl2N3O5S MolecularWeight: 456.2998

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C(=CC(=C3)C(=O)O)Cl)Cl

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=C(C(=CC(=C3)C(=O)O)Cl)Cl

InChI

InChI=1S/C18H15Cl2N3O5S/c1-10-16(17(24)23(22(10)2)12-6-4-3-5-7-12)21-29(27,28)14-9-11(18(25)26)8-13(19)15(14)20/h3-9,21H,1-2H3,(H,25,26)