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

Systemtic Name: 4-chloranyl-3-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-ethoxycarbonyl-sulfamoyl]benzoic acid Openeye Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)-ethoxycarbonyl-sulfamoyl]benzoic acid CAS Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-ethoxycarbonylsulfamoyl]benzoic acid IUPAC Name: 4-chloro-3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-ethoxycarbonylsulfamoyl]benzoic acid Traditional Name: 3-[carbethoxy-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-4-chloro-benzoic acid Formula: C21H20ClN3O7S MolecularWeight: 493.9174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

Isomeric SMILES

CCOC(=O)N(C1=C(N(N(C1=O)C2=CC=CC=C2)C)C)S(=O)(=O)C3=C(C=CC(=C3)C(=O)O)Cl

InChI

InChI=1S/C21H20ClN3O7S/c1-4-32-21(29)25(33(30,31)17-12-14(20(27)28)10-11-16(17)22)18-13(2)23(3)24(19(18)26)15-8-6-5-7-9-15/h5-12H,4H2,1-3H3,(H,27,28)