[(S)-cyano(phenyl)methyl] 4-methylbenzenesulfonate

Systemtic Name: [(S)-cyano(phenyl)methyl] 4-methylbenzenesulfonate Openeye Name: [(S)-cyano(phenyl)methyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [(S)-cyano(phenyl)methyl] ester IUPAC Name: [(S)-cyano(phenyl)methyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [(S)-cyano(phenyl)methyl] ester Formula: C15H13NO3S MolecularWeight: 287.33362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC(C#N)C2=CC=CC=C2

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O[C@H](C#N)C2=CC=CC=C2

InChI

InChI=1S/C15H13NO3S/c1-12-7-9-14(10-8-12)20(17,18)19-15(11-16)13-5-3-2-4-6-13/h2-10,15H,1H3/t15-/m1/s1