3-[(phenylmethyl)amino]-2-[3-(phenylsulfonyloxy)phenyl]propanoic acid

Systemtic Name: 3-[(phenylmethyl)amino]-2-[3-(phenylsulfonyloxy)phenyl]propanoic acid Openeye Name: 2-[3-(benzenesulfonyloxy)phenyl]-3-(benzylamino)propanoic acid CAS Name: 2-[3-(benzenesulfonyloxy)phenyl]-3-[(phenylmethyl)amino]propanoic acid IUPAC Name: 2-[3-(benzenesulfonyloxy)phenyl]-3-(benzylamino)propanoic acid Traditional Name: 3-(benzylamino)-2-(3-besyloxyphenyl)propionic acid Formula: C22H21NO5S MolecularWeight: 411.47084

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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