(4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate

Systemtic Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate Openeye Name: (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid (4-cyano-5-methyl-2-phenyl-3-pyrazolyl)methyl ester IUPAC Name: (4-cyano-5-methyl-2-phenylpyrazol-3-yl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[methyl(phenyl)sulfamoyl]benzoic acid (4-cyano-5-methyl-2-phenyl-pyrazol-3-yl)methyl ester Formula: C26H22N4O4S MolecularWeight: 486.54228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C(=C1C#N)COC(=O)C2=CC(=CC=C2)S(=O)(=O)N(C)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C26H22N4O4S/c1-19-24(17-27)25(30(28-19)22-13-7-4-8-14-22)18-34-26(31)20-10-9-15-23(16-20)35(32,33)29(2)21-11-5-3-6-12-21/h3-16H,18H2,1-2H3