(7-cyano-3-bicyclo[2.2.1]heptanyl) 4-methylbenzenesulfonate

Systemtic Name: (7-cyano-3-bicyclo[2.2.1]heptanyl) 4-methylbenzenesulfonate Openeye Name: (7-cyanonorbornan-2-yl) 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (7-cyano-3-bicyclo[2.2.1]heptanyl) ester IUPAC Name: (7-cyano-3-bicyclo[2.2.1]heptanyl) 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (7-cyanonorbornan-2-yl) ester Formula: C15H17NO3S MolecularWeight: 291.36538

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CCC2C3C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2CC3CCC2C3C#N

InChI

InChI=1S/C15H17NO3S/c1-10-2-5-12(6-3-10)20(17,18)19-15-8-11-4-7-13(15)14(11)9-16/h2-3,5-6,11,13-15H,4,7-8H2,1H3