[1-[2-(diphenylmethyl)sulfanylethyl]piperidin-3-yl] hydrogen carbonate

Systemtic Name: [1-[2-(diphenylmethyl)sulfanylethyl]piperidin-3-yl] hydrogen carbonate Openeye Name: [1-(2-benzhydrylsulfanylethyl)-3-piperidyl] hydrogen carbonate CAS Name: carbonic acid [1-[2-[(diphenylmethyl)thio]ethyl]-3-piperidinyl] ester IUPAC Name: [1-(2-benzhydrylsulfanylethyl)piperidin-3-yl] hydrogen carbonate Traditional Name: carbonic acid [1-[2-(benzhydrylthio)ethyl]-3-piperidyl] ester Formula: C21H25NO3S MolecularWeight: 371.4931

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CCSC(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)O

Isomeric SMILES

C1CC(CN(C1)CCSC(C2=CC=CC=C2)C3=CC=CC=C3)OC(=O)O

InChI

InChI=1S/C21H25NO3S/c23-21(24)25-19-12-7-13-22(16-19)14-15-26-20(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,19-20H,7,12-16H2,(H,23,24)