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

Systemtic Name: ethyl 2-[3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanoate Openeye Name: ethyl 2-[3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate CAS Name: 2-[3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)-1-pyrazolyl]acetic acid ethyl ester IUPAC Name: ethyl 2-[3-(4-methylsulfonylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetate Traditional Name: 2-[3-(4-mesylphenyl)-4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid ethyl ester Formula: C21H19F3N2O4S MolecularWeight: 452.44677

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)C(F)(F)F

Isomeric SMILES

CCOC(=O)CN1C(=C(C(=N1)C2=CC=C(C=C2)S(=O)(=O)C)C3=CC=CC=C3)C(F)(F)F

InChI

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