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

Systemtic Name: [3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl] butanoate Openeye Name: [3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl] butanoate CAS Name: butanoic acid [3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl] butanoate Traditional Name: butyric acid [3-(4-mesylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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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=CC=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H19F3N2O4S/c1-3-7-17(27)30-26-20(21(22,23)24)18(14-8-5-4-6-9-14)19(25-26)15-10-12-16(13-11-15)31(2,28)29/h4-6,8-13H,3,7H2,1-2H3