3-[(phenylmethyl)amino]-3-[4-(phenylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 3-[(phenylmethyl)amino]-3-[4-(phenylsulfonyloxy)phenyl]propanoic acid Openeye Name: 3-[4-(benzenesulfonyloxy)phenyl]-3-(benzylamino)propanoic acid CAS Name: 3-[4-(benzenesulfonyloxy)phenyl]-3-[(phenylmethyl)amino]propanoic acid IUPAC Name: 3-[4-(benzenesulfonyloxy)phenyl]-3-(benzylamino)propanoic acid Traditional Name: 3-(benzylamino)-3-(4-besyloxyphenyl)propionic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC(=O)O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC(=O)O)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3

InChI

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