ethyl 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate

Systemtic Name: ethyl 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate Openeye Name: ethyl 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate CAS Name: 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)-1-pyrazolyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[5-(4-methylsulfonylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoate Traditional Name: 4-[5-(4-mesylphenyl)-3-(trifluoromethyl)pyrazol-1-yl]benzoic acid ethyl ester Formula: C20H17F3N2O4S MolecularWeight: 438.42019

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N2C(=CC(=N2)C(F)(F)F)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H17F3N2O4S/c1-3-29-19(26)14-4-8-15(9-5-14)25-17(12-18(24-25)20(21,22)23)13-6-10-16(11-7-13)30(2,27)28/h4-12H,3H2,1-2H3