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

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-[4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-2-[4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid CAS Name: 2-(4-methylsulfonylphenyl)-2-[4-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-2-[4-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid Traditional Name: 2-(4-mesylphenyl)-2-[4-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid 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)C(C(=O)O)N2C(=C(C=N2)C3=CC=NC=C3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(C(=O)O)N2C(=C(C=N2)C3=CC=NC=C3)C(F)(F)F

InChI

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