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

Systemtic Name: ethyl 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoate Openeye Name: ethyl 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoate CAS Name: 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoate Traditional Name: 4-[3-(4-mesylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-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)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)C2=C(NN=C2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

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