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

Systemtic Name: 2-[4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]ethanoate Openeye Name: 2-[4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate CAS Name: 2-[4-(4-methoxy-3-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1-pyrazolyl]acetate IUPAC Name: 2-[4-(4-methoxy-3-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate Traditional Name: 2-[3-(4-mesylphenyl)-4-(4-methoxy-3-methyl-phenyl)-5-(trifluoromethyl)pyrazol-1-yl]acetate Formula: C21H18F3N2O5S- MolecularWeight: 467.43823

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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)C)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)C)CC(=O)[O-])C(F)(F)F)OC

InChI

InChI=1S/C21H19F3N2O5S/c1-12-10-14(6-9-16(12)31-2)18-19(13-4-7-15(8-5-13)32(3,29)30)25-26(11-17(27)28)20(18)21(22,23)24/h4-10H,11H2,1-3H3,(H,27,28)/p-1