3-[[5-chloranyl-2-(phenylsulfonylamino)phenoxy]methyl]benzoic acid

Systemtic Name: 3-[[5-chloranyl-2-(phenylsulfonylamino)phenoxy]methyl]benzoic acid Openeye Name: 3-[[2-(benzenesulfonamido)-5-chloro-phenoxy]methyl]benzoic acid CAS Name: 3-[[2-(benzenesulfonamido)-5-chlorophenoxy]methyl]benzoic acid IUPAC Name: 3-[[2-(benzenesulfonamido)-5-chlorophenoxy]methyl]benzoic acid Traditional Name: 3-[[2-(benzenesulfonamido)-5-chloro-phenoxy]methyl]benzoic acid Formula: C20H16ClNO5S MolecularWeight: 417.86274

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16ClNO5S/c21-16-9-10-18(22-28(25,26)17-7-2-1-3-8-17)19(12-16)27-13-14-5-4-6-15(11-14)20(23)24/h1-12,22H,13H2,(H,23,24)