[(1R)-1-cyanoethyl] (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: [(1R)-1-cyanoethyl] (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: [(1R)-1-cyanoethyl] (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butanoate CAS Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methylbutanoate Traditional Name: (2R)-2-[(3,4-dimethylphenyl)sulfonylamino]-3-methyl-butyric acid [(1R)-1-cyanoethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22N2O4S/c1-10(2)15(16(19)22-13(5)9-17)18-23(20,21)14-7-6-11(3)12(4)8-14/h6-8,10,13,15,18H,1-5H3/t13-,15-/m1/s1