[(1R)-1-cyanoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]ethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-[(2,5-dimethylphenyl)sulfonylamino]acetate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]acetic acid [(1R)-1-cyanoethyl] ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)NCC(=O)OC(C)C#N

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-9-4-5-10(2)12(6-9)20(17,18)15-8-13(16)19-11(3)7-14/h4-6,11,15H,8H2,1-3H3/t11-/m1/s1