[1-(cyanomethyl)piperidin-2-yl]methyl 4-methylbenzenesulfonate

Systemtic Name: [1-(cyanomethyl)piperidin-2-yl]methyl 4-methylbenzenesulfonate Openeye Name: [1-(cyanomethyl)-2-piperidyl]methyl 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [1-(cyanomethyl)-2-piperidinyl]methyl ester IUPAC Name: [1-(cyanomethyl)piperidin-2-yl]methyl 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [1-(cyanomethyl)-2-piperidyl]methyl ester Formula: C15H20N2O3S MolecularWeight: 308.3959

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCCN2CC#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OCC2CCCCN2CC#N

InChI

InChI=1S/C15H20N2O3S/c1-13-5-7-15(8-6-13)21(18,19)20-12-14-4-2-3-10-17(14)11-9-16/h5-8,14H,2-4,10-12H2,1H3