[1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylate CAS Name: 3,5-dimethyl-1-phenyl-4-pyrazolecarboxylic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] 3,5-dimethyl-1-phenylpyrazole-4-carboxylate Traditional Name: 3,5-dimethyl-1-phenyl-pyrazole-4-carboxylic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C21H22N4O5S MolecularWeight: 442.48818

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)C(=O)OC(C)C(=O)NC3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C21H22N4O5S/c1-13-19(14(2)25(24-13)17-9-5-4-6-10-17)21(27)30-15(3)20(26)23-16-8-7-11-18(12-16)31(22,28)29/h4-12,15H,1-3H3,(H,23,26)(H2,22,28,29)