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

Systemtic Name: (phenylmethyl) 2-acetamido-3-[4-(phenylsulfonyloxy)phenyl]propanoate Openeye Name: benzyl 2-acetamido-3-[4-(benzenesulfonyloxy)phenyl]propanoate CAS Name: 2-acetamido-3-[4-(benzenesulfonyloxy)phenyl]propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetamido-3-[4-(benzenesulfonyloxy)phenyl]propanoate Traditional Name: 2-acetamido-3-(4-besyloxyphenyl)propionic acid benzyl ester Formula: C24H23NO6S MolecularWeight: 453.50752

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C2=CC=CC=C2)C(=O)OCC3=CC=CC=C3

InChI

InChI=1S/C24H23NO6S/c1-18(26)25-23(24(27)30-17-20-8-4-2-5-9-20)16-19-12-14-21(15-13-19)31-32(28,29)22-10-6-3-7-11-22/h2-15,23H,16-17H2,1H3,(H,25,26)