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

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-[2-pyrazol-1-yl-3-(trifluoromethyl)phenoxy]ethanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-2-[2-pyrazol-1-yl-3-(trifluoromethyl)phenoxy]acetic acid CAS Name: 2-(4-methylsulfonylphenyl)-2-[2-(1-pyrazolyl)-3-(trifluoromethyl)phenoxy]acetic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-2-[2-pyrazol-1-yl-3-(trifluoromethyl)phenoxy]acetic acid Traditional Name: 2-(4-mesylphenyl)-2-[2-pyrazol-1-yl-3-(trifluoromethyl)phenoxy]acetic acid Formula: C19H15F3N2O5S MolecularWeight: 440.39301

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C(=O)O)OC2=CC=CC(=C2N3C=CC=N3)C(F)(F)F

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(C(=O)O)OC2=CC=CC(=C2N3C=CC=N3)C(F)(F)F

InChI

InChI=1S/C19H15F3N2O5S/c1-30(27,28)13-8-6-12(7-9-13)17(18(25)26)29-15-5-2-4-14(19(20,21)22)16(15)24-11-3-10-23-24/h2-11,17H,1H3,(H,25,26)