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

Systemtic Name: [4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [4-(4-methoxy-3-methyl-phenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(4-methoxy-3-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-(4-methoxy-3-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [3-(4-mesylphenyl)-4-(4-methoxy-3-methyl-phenyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C23H23F3N2O5S MolecularWeight: 496.49933

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H23F3N2O5S/c1-5-6-19(29)33-28-22(23(24,25)26)20(16-9-12-18(32-3)14(2)13-16)21(27-28)15-7-10-17(11-8-15)34(4,30)31/h7-13H,5-6H2,1-4H3