2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]ethanoic acid

Systemtic Name: 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]ethanoic acid Openeye Name: 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid CAS Name: 2-[2-[4-(1-pyrrolidinylsulfonyl)phenyl]-4-(trifluoromethyl)phenoxy]acetic acid IUPAC Name: 2-[2-(4-pyrrolidin-1-ylsulfonylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid Traditional Name: 2-[2-(4-pyrrolidinosulfonylphenyl)-4-(trifluoromethyl)phenoxy]acetic acid Formula: C19H18F3NO5S MolecularWeight: 429.41013

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)OCC(=O)O

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=C(C=CC(=C3)C(F)(F)F)OCC(=O)O

InChI

InChI=1S/C19H18F3NO5S/c20-19(21,22)14-5-8-17(28-12-18(24)25)16(11-14)13-3-6-15(7-4-13)29(26,27)23-9-1-2-10-23/h3-8,11H,1-2,9-10,12H2,(H,24,25)