2-[(4-phenylmethoxyphenyl)-(phenylsulfonyl)amino]propanoic acid

Systemtic Name: 2-[(4-phenylmethoxyphenyl)-(phenylsulfonyl)amino]propanoic acid Openeye Name: 2-[N-(benzenesulfonyl)-4-benzyloxy-anilino]propanoic acid CAS Name: 2-[N-(benzenesulfonyl)-4-phenylmethoxyanilino]propanoic acid IUPAC Name: 2-[N-(benzenesulfonyl)-4-phenylmethoxyanilino]propanoic acid Traditional Name: 2-(4-benzoxy-N-besyl-anilino)propionic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)O)N(C1=CC=C(C=C1)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C(=O)O)N(C1=CC=C(C=C1)OCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H21NO5S/c1-17(22(24)25)23(29(26,27)21-10-6-3-7-11-21)19-12-14-20(15-13-19)28-16-18-8-4-2-5-9-18/h2-15,17H,16H2,1H3,(H,24,25)