[(1R)-1-cyanoethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(2-methylphenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-(2-methyl-N-methylsulfonyl-anilino)acetate CAS Name: 2-(2-methyl-N-methylsulfonylanilino)acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(2-methyl-N-methylsulfonylanilino)acetate Traditional Name: 2-(N-mesyl-2-methyl-anilino)acetic acid [(1R)-1-cyanoethyl] ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N(CC(=O)OC(C)C#N)S(=O)(=O)C

Isomeric SMILES

CC1=CC=CC=C1N(CC(=O)O[C@H](C)C#N)S(=O)(=O)C

InChI

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