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

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-[4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]ethanoic acid Openeye Name: 2-(4-methylsulfonylphenyl)-2-[4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid CAS Name: 2-(4-methylsulfonylphenyl)-2-[4-phenyl-5-(trifluoromethyl)-1-pyrazolyl]acetic acid IUPAC Name: 2-(4-methylsulfonylphenyl)-2-[4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid Traditional Name: 2-(4-mesylphenyl)-2-[4-phenyl-5-(trifluoromethyl)pyrazol-1-yl]acetic acid Formula: C19H15F3N2O4S MolecularWeight: 424.39361

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C19H15F3N2O4S/c1-29(27,28)14-9-7-13(8-10-14)16(18(25)26)24-17(19(20,21)22)15(11-23-24)12-5-3-2-4-6-12/h2-11,16H,1H3,(H,25,26)