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

Systemtic Name: propan-2-yl 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoate Openeye Name: isopropyl 2-acetamido-3-[3-(p-tolylsulfonyloxy)phenyl]propanoate CAS Name: 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-acetamido-3-[3-(4-methylphenyl)sulfonyloxyphenyl]propanoate Traditional Name: 2-acetamido-3-(3-tosyloxyphenyl)propionic acid isopropyl ester Formula: C21H25NO6S MolecularWeight: 419.4913

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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(C)C)NC(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C21H25NO6S/c1-14(2)27-21(24)20(22-16(4)23)13-17-6-5-7-18(12-17)28-29(25,26)19-10-8-15(3)9-11-19/h5-12,14,20H,13H2,1-4H3,(H,22,23)