methyl 4-[(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)sulfamoyl]benzoate

Systemtic Name: methyl 4-[(1-methyl-3-oxidanylidene-2-phenyl-5-propan-2-yl-pyrazol-4-yl)sulfamoyl]benzoate Openeye Name: methyl 4-[(5-isopropyl-1-methyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]benzoate CAS Name: 4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-yl-4-pyrazolyl)sulfamoyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-methyl-3-oxo-2-phenyl-5-propan-2-ylpyrazol-4-yl)sulfamoyl]benzoate Traditional Name: 4-[(5-isopropyl-3-keto-1-methyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]benzoic acid methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CC(C)C1=C(C(=O)N(N1C)C2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H23N3O5S/c1-14(2)19-18(20(25)24(23(19)3)16-8-6-5-7-9-16)22-30(27,28)17-12-10-15(11-13-17)21(26)29-4/h5-14,22H,1-4H3