4-[[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid

Systemtic Name: 4-[[4-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]phenyl]amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-[4-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]anilino]-4-oxo-butanoic acid CAS Name: 4-[4-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]anilino]-4-oxobutanoic acid IUPAC Name: 4-[4-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]anilino]-4-oxobutanoic acid Traditional Name: 4-keto-4-[4-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]anilino]butyric acid Formula: C21H22N4O6S MolecularWeight: 458.48758

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N4O6S/c1-14-20(21(29)25(24(14)2)16-6-4-3-5-7-16)23-32(30,31)17-10-8-15(9-11-17)22-18(26)12-13-19(27)28/h3-11,23H,12-13H2,1-2H3,(H,22,26)(H,27,28)