[(1R)-1-cyanoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [(1R)-1-cyanoethyl] ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(C)C(=O)OC(C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C#N

InChI

InChI=1S/C13H16N2O4S/c1-9-4-6-12(7-5-9)20(17,18)15-11(3)13(16)19-10(2)8-14/h4-7,10-11,15H,1-3H3/t10-,11+/m1/s1