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

Systemtic Name: (3-nitrophenyl)methyl 5-[(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate Openeye Name: (3-nitrophenyl)methyl 5-[(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)sulfamoyl]-2-methyl-benzoate CAS Name: 5-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)sulfamoyl]-2-methylbenzoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 5-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)sulfamoyl]-2-methylbenzoate Traditional Name: 5-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)sulfamoyl]-2-methyl-benzoic acid (3-nitrobenzyl) ester Formula: C26H24N4O7S MolecularWeight: 536.55636

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=C(N(N(C2=O)C3=CC=CC=C3)C)C)C(=O)OCC4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C26H24N4O7S/c1-17-12-13-22(15-23(17)26(32)37-16-19-8-7-11-21(14-19)30(33)34)38(35,36)27-24-18(2)28(3)29(25(24)31)20-9-5-4-6-10-20/h4-15,27H,16H2,1-3H3