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

Systemtic Name: 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-[4-(4-methylsulfonylphenyl)-3-(4-pyridyl)-5-(trifluoromethyl)pyrazol-1-yl]acetic acid CAS Name: 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-[4-(4-methylsulfonylphenyl)-3-pyridin-4-yl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid Traditional Name: 2-[4-(4-mesylphenyl)-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)C2=C(N(N=C2C3=CC=NC=C3)CC(=O)O)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(N(N=C2C3=CC=NC=C3)CC(=O)O)C(F)(F)F

InChI

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