4-[[2-(phenylsulfonylamino)-4-(trifluoromethyl)phenoxy]methyl]benzoic acid

Systemtic Name: 4-[[2-(phenylsulfonylamino)-4-(trifluoromethyl)phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamido)-4-(trifluoromethyl)phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(benzenesulfonamido)-4-(trifluoromethyl)phenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-4-(trifluoromethyl)phenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(benzenesulfonamido)-4-(trifluoromethyl)phenoxy]methyl]benzoic acid Formula: C21H16F3NO5S MolecularWeight: 451.41565

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H16F3NO5S/c22-21(23,24)16-10-11-19(30-13-14-6-8-15(9-7-14)20(26)27)18(12-16)25-31(28,29)17-4-2-1-3-5-17/h1-12,25H,13H2,(H,26,27)