ethyl 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: ethyl 4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: ethyl 4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid ethyl ester Formula: C20H21N3O5S MolecularWeight: 415.46284

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C

InChI

InChI=1S/C20H21N3O5S/c1-4-28-20(25)15-10-12-17(13-11-15)29(26,27)21-18-14(2)22(3)23(19(18)24)16-8-6-5-7-9-16/h5-13,21H,4H2,1-3H3