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

Systemtic Name: methyl 4-(4-methylphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 2-allyl-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-methylphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-methylphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 2-allyl-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C21H21N3O4S MolecularWeight: 411.47414

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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=C)C(=O)OC

Isomeric SMILES

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

InChI

InChI=1S/C21H21N3O4S/c1-4-13-24-20(21(25)28-3)18(15-7-5-14(2)6-8-15)19(23-24)16-9-11-17(12-10-16)29(22,26)27/h4-12H,1,13H2,2-3H3,(H2,22,26,27)