[(2S)-4-cyano-1-(3,4-dimethoxyphenyl)butan-2-yl] methanesulfonate

Systemtic Name: [(2S)-4-cyano-1-(3,4-dimethoxyphenyl)butan-2-yl] methanesulfonate Openeye Name: [(1S)-3-cyano-1-[(3,4-dimethoxyphenyl)methyl]propyl] methanesulfonate CAS Name: methanesulfonic acid [(2S)-4-cyano-1-(3,4-dimethoxyphenyl)butan-2-yl] ester IUPAC Name: [(2S)-4-cyano-1-(3,4-dimethoxyphenyl)butan-2-yl] methanesulfonate Traditional Name: methanesulfonic acid [(1S)-3-cyano-1-veratryl-propyl] ester Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(CCC#N)OS(=O)(=O)C)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C[C@H](CCC#N)OS(=O)(=O)C)OC

InChI

InChI=1S/C14H19NO5S/c1-18-13-7-6-11(10-14(13)19-2)9-12(5-4-8-15)20-21(3,16)17/h6-7,10,12H,4-5,9H2,1-3H3/t12-/m0/s1