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

Systemtic Name: 4-[[4-methoxy-2-(phenylsulfonylamino)phenoxy]methyl]benzoic acid Openeye Name: 4-[[2-(benzenesulfonamido)-4-methoxy-phenoxy]methyl]benzoic acid CAS Name: 4-[[2-(benzenesulfonamido)-4-methoxyphenoxy]methyl]benzoic acid IUPAC Name: 4-[[2-(benzenesulfonamido)-4-methoxyphenoxy]methyl]benzoic acid Traditional Name: 4-[[2-(benzenesulfonamido)-4-methoxy-phenoxy]methyl]benzoic acid Formula: C21H19NO6S MolecularWeight: 413.44366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC1=CC(=C(C=C1)OCC2=CC=C(C=C2)C(=O)O)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H19NO6S/c1-27-17-11-12-20(28-14-15-7-9-16(10-8-15)21(23)24)19(13-17)22-29(25,26)18-5-3-2-4-6-18/h2-13,22H,14H2,1H3,(H,23,24)