[(1R)-1-cyanoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(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)NCCC(=O)OC(C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-10-3-5-12(6-4-10)20(17,18)15-8-7-13(16)19-11(2)9-14/h3-6,11,15H,7-8H2,1-2H3/t11-/m1/s1