4-(4-methylphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid

Systemtic Name: 4-(4-methylphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Openeye Name: 2-allyl-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid CAS Name: 4-(4-methylphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-methylphenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-allyl-4-(p-tolyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Formula: C20H19N3O4S MolecularWeight: 397.44756

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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)O

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O4S/c1-3-12-23-19(20(24)25)17(14-6-4-13(2)5-7-14)18(22-23)15-8-10-16(11-9-15)28(21,26)27/h3-11H,1,12H2,2H3,(H,24,25)(H2,21,26,27)