(phenylmethyl) 2-acetamido-3-(4-methylsulfonyloxyphenyl)propanoate

Systemtic Name: (phenylmethyl) 2-acetamido-3-(4-methylsulfonyloxyphenyl)propanoate Openeye Name: benzyl 2-acetamido-3-(4-methylsulfonyloxyphenyl)propanoate CAS Name: 2-acetamido-3-(4-methylsulfonyloxyphenyl)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl 2-acetamido-3-(4-methylsulfonyloxyphenyl)propanoate Traditional Name: 2-acetamido-3-(4-methylsulfonyloxyphenyl)propionic acid benzyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(CC1=CC=C(C=C1)OS(=O)(=O)C)C(=O)OCC2=CC=CC=C2

InChI

InChI=1S/C19H21NO6S/c1-14(21)20-18(19(22)25-13-16-6-4-3-5-7-16)12-15-8-10-17(11-9-15)26-27(2,23)24/h3-11,18H,12-13H2,1-2H3,(H,20,21)