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

Systemtic Name: methyl 4-[3-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-1H-pyrazol-4-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H15F3N2O4S MolecularWeight: 424.39361

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

COC(=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/C19H15F3N2O4S/c1-28-18(25)13-5-3-11(4-6-13)15-16(23-24-17(15)19(20,21)22)12-7-9-14(10-8-12)29(2,26)27/h3-10H,1-2H3,(H,23,24)