4-[[3-(phenylsulfonylamino)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzoic acid

Systemtic Name: 4-[[3-(phenylsulfonylamino)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzoic acid Openeye Name: 4-[[3-(benzenesulfonamido)-5-(trifluoromethyl)-2-pyridyl]oxymethyl]benzoic acid CAS Name: 4-[[3-(benzenesulfonamido)-5-(trifluoromethyl)-2-pyridinyl]oxymethyl]benzoic acid IUPAC Name: 4-[[3-(benzenesulfonamido)-5-(trifluoromethyl)pyridin-2-yl]oxymethyl]benzoic acid Traditional Name: 4-[[3-(benzenesulfonamido)-5-(trifluoromethyl)-2-pyridyl]oxymethyl]benzoic acid Formula: C20H15F3N2O5S MolecularWeight: 452.40371

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C(F)(F)F)OCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=C(N=CC(=C2)C(F)(F)F)OCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H15F3N2O5S/c21-20(22,23)15-10-17(25-31(28,29)16-4-2-1-3-5-16)18(24-11-15)30-12-13-6-8-14(9-7-13)19(26)27/h1-11,25H,12H2,(H,26,27)