2-[4-(4-methoxy-3-methyl-phenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanoate

Systemtic Name: 2-[4-(4-methoxy-3-methyl-phenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(4-methoxy-3-methyl-phenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate CAS Name: 2-[4-(4-methoxy-3-methylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)-1-pyrazolyl]acetate IUPAC Name: 2-[4-(4-methoxy-3-methylphenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate Traditional Name: 2-[4-(4-methoxy-3-methyl-phenyl)-3-(4-sulfamoylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate Formula: C20H17F3N3O5S- MolecularWeight: 468.42629

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC(=O)[O-])C(F)(F)F)OC

Isomeric SMILES

CC1=C(C=CC(=C1)C2=C(N(N=C2C3=CC=C(C=C3)S(=O)(=O)N)CC(=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C20H18F3N3O5S/c1-11-9-13(5-8-15(11)31-2)17-18(12-3-6-14(7-4-12)32(24,29)30)25-26(10-16(27)28)19(17)20(21,22)23/h3-9H,10H2,1-2H3,(H,27,28)(H2,24,29,30)/p-1