[2-(phenylmethylsulfanyl)cyclohexyl] 3-piperidin-1-ylpropanoate

Systemtic Name: [2-(phenylmethylsulfanyl)cyclohexyl] 3-piperidin-1-ylpropanoate Openeye Name: (2-benzylsulfanylcyclohexyl) 3-(1-piperidyl)propanoate CAS Name: 3-(1-piperidinyl)propanoic acid [2-(phenylmethylthio)cyclohexyl] ester IUPAC Name: (2-benzylsulfanylcyclohexyl) 3-piperidin-1-ylpropanoate Traditional Name: 3-piperidinopropionic acid [2-(benzylthio)cyclohexyl] ester Formula: C21H31NO2S MolecularWeight: 361.54134

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCC(=O)OC2CCCCC2SCC3=CC=CC=C3

Isomeric SMILES

C1CCN(CC1)CCC(=O)OC2CCCCC2SCC3=CC=CC=C3

InChI

InChI=1S/C21H31NO2S/c23-21(13-16-22-14-7-2-8-15-22)24-19-11-5-6-12-20(19)25-17-18-9-3-1-4-10-18/h1,3-4,9-10,19-20H,2,5-8,11-17H2