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

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-2-(p-tolylsulfonylamino)propanoate CAS Name: (2S)-2-[(4-methylphenyl)sulfonylamino]propanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-2-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: (2S)-2-(tosylamino)propionic acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C15H19N3O5S MolecularWeight: 353.39346

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O5S/c1-11-4-6-13(7-5-11)24(21,22)18-12(2)15(20)23-10-14(19)17-9-3-8-16/h4-7,12,18H,3,9-10H2,1-2H3,(H,17,19)/t12-/m0/s1