2-(4-methylsulfonylphenyl)-2-[3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoic acid

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-[3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-2-[3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid CAS Name: 2-(4-methylsulfonylphenyl)-2-[3-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-2-[3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid Traditional Name: 2-(4-mesylphenyl)-2-[3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid Formula: C18H14F3N3O4S MolecularWeight: 425.38167

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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