[2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [2-(2-cyanoethylamino)-2-oxidanylidene-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [2-(2-cyanoethylamino)-2-oxo-ethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [2-(2-cyanoethylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-cyanoethylamino)-2-oxoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [2-(2-cyanoethylamino)-2-keto-ethyl] ester Formula: C16H20ClN3O5S MolecularWeight: 401.8651

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OCC(=O)NCCC#N)NS(=O)(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

CC(C)[C@@H](C(=O)OCC(=O)NCCC#N)NS(=O)(=O)C1=CC(=CC=C1)Cl

InChI

InChI=1S/C16H20ClN3O5S/c1-11(2)15(16(22)25-10-14(21)19-8-4-7-18)20-26(23,24)13-6-3-5-12(17)9-13/h3,5-6,9,11,15,20H,4,8,10H2,1-2H3,(H,19,21)/t15-/m0/s1