(phenylmethyl) 2-[(phenylmethyl)amino]-3-[4-(phenylsulfonyloxy)phenyl]propanoate

Systemtic Name: (phenylmethyl) 2-[(phenylmethyl)amino]-3-[4-(phenylsulfonyloxy)phenyl]propanoate Openeye Name: benzyl 3-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)propanoate CAS Name: 3-[4-(benzenesulfonyloxy)phenyl]-2-[(phenylmethyl)amino]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 3-[4-(benzenesulfonyloxy)phenyl]-2-(benzylamino)propanoate Traditional Name: 2-(benzylamino)-3-(4-besyloxyphenyl)propionic acid benzyl ester Formula: C29H27NO5S MolecularWeight: 501.59338

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC(CC2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3)C(=O)OCC4=CC=CC=C4

InChI

InChI=1S/C29H27NO5S/c31-29(34-22-25-12-6-2-7-13-25)28(30-21-24-10-4-1-5-11-24)20-23-16-18-26(19-17-23)35-36(32,33)27-14-8-3-9-15-27/h1-19,28,30H,20-22H2