[(1R)-1-cyanoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2S)-2-[(3-chlorophenyl)sulfonylamino]-3-methyl-butyric acid [(1R)-1-cyanoethyl] ester Formula: C14H17ClN2O4S MolecularWeight: 344.81378

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC(C)C#N)NS(=O)(=O)C1=CC(=CC=C1)Cl

Isomeric SMILES

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

InChI

InChI=1S/C14H17ClN2O4S/c1-9(2)13(14(18)21-10(3)8-16)17-22(19,20)12-6-4-5-11(15)7-12/h4-7,9-10,13,17H,1-3H3/t10-,13+/m1/s1