3-[4-(phenoxymethyl)-2-(phenylsulfonylamino)phenyl]propanoic acid

Systemtic Name: 3-[4-(phenoxymethyl)-2-(phenylsulfonylamino)phenyl]propanoic acid Openeye Name: 3-[2-(benzenesulfonamido)-4-(phenoxymethyl)phenyl]propanoic acid CAS Name: 3-[2-(benzenesulfonamido)-4-(phenoxymethyl)phenyl]propanoic acid IUPAC Name: 3-[2-(benzenesulfonamido)-4-(phenoxymethyl)phenyl]propanoic acid Traditional Name: 3-[2-(benzenesulfonamido)-4-(phenoxymethyl)phenyl]propionic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H21NO5S/c24-22(25)14-13-18-12-11-17(16-28-19-7-3-1-4-8-19)15-21(18)23-29(26,27)20-9-5-2-6-10-20/h1-12,15,23H,13-14,16H2,(H,24,25)