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

Systemtic Name: [4-phenyl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [4-phenyl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-phenyl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-phenyl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [4-phenyl-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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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=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O4S/c1-2-6-16(27)30-26-19(20(21,22)23)17(13-7-4-3-5-8-13)18(25-26)14-9-11-15(12-10-14)31(24,28)29/h3-5,7-12H,2,6H2,1H3,(H2,24,28,29)