[(1R)-1-cyanoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,3,5,6-tetramethylphenyl)sulfonylamino]propionic acid [(1R)-1-cyanoethyl] ester Formula: C16H22N2O4S MolecularWeight: 338.42188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1C)S(=O)(=O)NCCC(=O)OC(C)C#N)C)C

Isomeric SMILES

CC1=CC(=C(C(=C1C)S(=O)(=O)NCCC(=O)O[C@H](C)C#N)C)C

InChI

InChI=1S/C16H22N2O4S/c1-10-8-11(2)14(5)16(13(10)4)23(20,21)18-7-6-15(19)22-12(3)9-17/h8,12,18H,6-7H2,1-5H3/t12-/m1/s1