methyl 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoate

Systemtic Name: methyl 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoate Openeye Name: methyl 2-acetamido-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid methyl ester IUPAC Name: methyl 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-acetamido-3-(3-tosyloxyphenyl)propionic acid methyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OC)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=CC=CC(=C2)CC(C(=O)OC)NC(=O)C

InChI

InChI=1S/C19H21NO6S/c1-13-7-9-17(10-8-13)27(23,24)26-16-6-4-5-15(11-16)12-18(19(22)25-3)20-14(2)21/h4-11,18H,12H2,1-3H3,(H,20,21)