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

Systemtic Name: 4-(4-chlorophenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Openeye Name: 2-allyl-4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid CAS Name: 4-(4-chlorophenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid IUPAC Name: 4-(4-chlorophenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Traditional Name: 2-allyl-4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid Formula: C19H16ClN3O4S MolecularWeight: 417.86604

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl)C(=O)O

Isomeric SMILES

C=CCN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl)C(=O)O

InChI

InChI=1S/C19H16ClN3O4S/c1-2-11-23-18(19(24)25)16(12-3-7-14(20)8-4-12)17(22-23)13-5-9-15(10-6-13)28(21,26)27/h2-10H,1,11H2,(H,24,25)(H2,21,26,27)