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

Systemtic Name: [4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [3-(4-methylsulfonylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-(2-methylphenyl)-3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [3-(4-mesylphenyl)-4-(o-tolyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C22H21F3N2O4S MolecularWeight: 466.47335

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21F3N2O4S/c1-4-7-18(28)31-27-21(22(23,24)25)19(17-9-6-5-8-14(17)2)20(26-27)15-10-12-16(13-11-15)32(3,29)30/h5-6,8-13H,4,7H2,1-3H3