[4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] 2-(4-methylsulfonylphenyl)ethanoate

Systemtic Name: [4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] 2-(4-methylsulfonylphenyl)ethanoate Openeye Name: [4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl] 2-(4-methylsulfonylphenyl)acetate CAS Name: 2-(4-methylsulfonylphenyl)acetic acid [4-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl] ester IUPAC Name: [4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl] 2-(4-methylsulfonylphenyl)acetate Traditional Name: 2-(4-mesylphenyl)acetic acid [4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl] ester Formula: C18H14F3N3O4S MolecularWeight: 425.38167

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)ON2C(=C(C=N2)C3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)CC(=O)ON2C(=C(C=N2)C3=CC=NC=C3)C(F)(F)F

InChI

InChI=1S/C18H14F3N3O4S/c1-29(26,27)14-4-2-12(3-5-14)10-16(25)28-24-17(18(19,20)21)15(11-23-24)13-6-8-22-9-7-13/h2-9,11H,10H2,1H3