[(1R)-1-cyanoethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate

Systemtic Name: [(1R)-1-cyanoethyl] 2-[(3-chlorophenyl)-methylsulfonyl-amino]ethanoate Openeye Name: [(1R)-1-cyanoethyl] 2-(3-chloro-N-methylsulfonyl-anilino)acetate CAS Name: 2-(3-chloro-N-methylsulfonylanilino)acetic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 2-(3-chloro-N-methylsulfonylanilino)acetate Traditional Name: 2-(3-chloro-N-mesyl-anilino)acetic acid [(1R)-1-cyanoethyl] ester Formula: C12H13ClN2O4S MolecularWeight: 316.76062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)OC(=O)CN(C1=CC(=CC=C1)Cl)S(=O)(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4S/c1-9(7-14)19-12(16)8-15(20(2,17)18)11-5-3-4-10(13)6-11/h3-6,9H,8H2,1-2H3/t9-/m1/s1