[2-cyano-3-(1-ethylpiperidin-4-yl)phenyl] methanesulfonate

Systemtic Name: [2-cyano-3-(1-ethylpiperidin-4-yl)phenyl] methanesulfonate Openeye Name: [2-cyano-3-(1-ethyl-4-piperidyl)phenyl] methanesulfonate CAS Name: methanesulfonic acid [2-cyano-3-(1-ethyl-4-piperidinyl)phenyl] ester IUPAC Name: [2-cyano-3-(1-ethylpiperidin-4-yl)phenyl] methanesulfonate Traditional Name: methanesulfonic acid [2-cyano-3-(1-ethyl-4-piperidyl)phenyl] ester Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(CC1)C2=C(C(=CC=C2)OS(=O)(=O)C)C#N

Isomeric SMILES

CCN1CCC(CC1)C2=C(C(=CC=C2)OS(=O)(=O)C)C#N

InChI

InChI=1S/C15H20N2O3S/c1-3-17-9-7-12(8-10-17)13-5-4-6-15(14(13)11-16)20-21(2,18)19/h4-6,12H,3,7-10H2,1-2H3