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

Systemtic Name: methyl 4-(4-chlorophenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Openeye Name: methyl 2-allyl-4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate CAS Name: 4-(4-chlorophenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)-3-pyrazolecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-chlorophenyl)-2-prop-2-enyl-5-(4-sulfamoylphenyl)pyrazole-3-carboxylate Traditional Name: 2-allyl-4-(4-chlorophenyl)-5-(4-sulfamoylphenyl)pyrazole-3-carboxylic acid methyl ester Formula: C20H18ClN3O4S MolecularWeight: 431.89262

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=NN1CC=C)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl

Isomeric SMILES

COC(=O)C1=C(C(=NN1CC=C)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H18ClN3O4S/c1-3-12-24-19(20(25)28-2)17(13-4-8-15(21)9-5-13)18(23-24)14-6-10-16(11-7-14)29(22,26)27/h3-11H,1,12H2,2H3,(H2,22,26,27)