[(2S)-4-cyano-1-phenyl-butan-2-yl] methanesulfonate

Systemtic Name: [(2S)-4-cyano-1-phenyl-butan-2-yl] methanesulfonate Openeye Name: [(1S)-1-benzyl-3-cyano-propyl] methanesulfonate CAS Name: methanesulfonic acid [(2S)-4-cyano-1-phenylbutan-2-yl] ester IUPAC Name: [(2S)-4-cyano-1-phenylbutan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-1-benzyl-3-cyano-propyl] ester Formula: C12H15NO3S MolecularWeight: 253.3174

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC(CCC#N)CC1=CC=CC=C1

Isomeric SMILES

CS(=O)(=O)O[C@@H](CCC#N)CC1=CC=CC=C1

InChI

InChI=1S/C12H15NO3S/c1-17(14,15)16-12(8-5-9-13)10-11-6-3-2-4-7-11/h2-4,6-7,12H,5,8,10H2,1H3/t12-/m0/s1