(4-cyano-1-methyl-piperidin-4-yl)methyl 4-methylbenzenesulfonate

Systemtic Name: (4-cyano-1-methyl-piperidin-4-yl)methyl 4-methylbenzenesulfonate Openeye Name: (4-cyano-1-methyl-4-piperidyl)methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid (4-cyano-1-methyl-4-piperidinyl)methyl ester IUPAC Name: (4-cyano-1-methylpiperidin-4-yl)methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid (4-cyano-1-methyl-4-piperidyl)methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2(CCN(CC2)C)C#N

InChI

InChI=1S/C15H20N2O3S/c1-13-3-5-14(6-4-13)21(18,19)20-12-15(11-16)7-9-17(2)10-8-15/h3-6H,7-10,12H2,1-2H3