(phenylmethyl) 2-acetamido-3-(4-methoxyphenyl)sulfonyl-propanoate

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2

Isomeric SMILES

CC(=O)NC(CS(=O)(=O)C1=CC=C(C=C1)OC)C(=O)OCC2=CC=CC=C2

InChI

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