[(2R)-1-cyano-3-(4-methylphenyl)sulfonyloxy-propan-2-yl] ethanoate

Systemtic Name: [(2R)-1-cyano-3-(4-methylphenyl)sulfonyloxy-propan-2-yl] ethanoate Openeye Name: [(1R)-1-(cyanomethyl)-2-(p-tolylsulfonyloxy)ethyl] acetate CAS Name: acetic acid [(2R)-1-cyano-3-(4-methylphenyl)sulfonyloxypropan-2-yl] ester IUPAC Name: [(2R)-1-cyano-3-(4-methylphenyl)sulfonyloxypropan-2-yl] acetate Traditional Name: acetic acid [(1R)-1-(cyanomethyl)-2-tosyloxy-ethyl] ester Formula: C13H15NO5S MolecularWeight: 297.3269

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15NO5S/c1-10-3-5-13(6-4-10)20(16,17)18-9-12(7-8-14)19-11(2)15/h3-6,12H,7,9H2,1-2H3/t12-/m1/s1