[2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-acetamidophenyl)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-acetamidophenyl)-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(4-acetamidophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-acetamidophenyl)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-(4-acetamidophenyl)-2-keto-ethyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)C2=CC=C(C=C2)NC(=O)C

InChI

InChI=1S/C20H22N2O6S/c1-13-4-10-18(11-5-13)29(26,27)22-14(2)20(25)28-12-19(24)16-6-8-17(9-7-16)21-15(3)23/h4-11,14,22H,12H2,1-3H3,(H,21,23)/t14-/m0/s1