methyl 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate

Systemtic Name: methyl 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 2-(cyanomethyl)-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 2-(cyanomethyl)-4-(4-methylphenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 2-(cyanomethyl)-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC#N)C(=O)OC

InChI

InChI=1S/C20H18N4O4S/c1-13-3-5-14(6-4-13)17-18(15-7-9-16(10-8-15)29(22,26)27)23-24(12-11-21)19(17)20(25)28-2/h3-10H,12H2,1-2H3,(H2,22,26,27)