[4-(2-methylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate

Systemtic Name: [4-(2-methylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [4-(o-tolyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(2-methylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-(2-methylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-(o-tolyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C21H20F3N3O4S MolecularWeight: 467.46141

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)ON1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3C)C(F)(F)F

Isomeric SMILES

CCCC(=O)ON1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)N)C3=CC=CC=C3C)C(F)(F)F

InChI

InChI=1S/C21H20F3N3O4S/c1-3-6-17(28)31-27-20(21(22,23)24)18(16-8-5-4-7-13(16)2)19(26-27)14-9-11-15(12-10-14)32(25,29)30/h4-5,7-12H,3,6H2,1-2H3,(H2,25,29,30)