2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-[4-(phenylmethyl)piperidin-1-yl]ethanone Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(4-benzyl-1-piperidyl)ethanone CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-1-[4-(phenylmethyl)-1-piperidinyl]ethanone IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-(4-benzylpiperidin-1-yl)ethanone Traditional Name: 1-(4-benzylpiperidino)-2-(piperonylthio)ethanone Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C(=O)CSCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25NO3S/c24-22(15-27-14-19-6-7-20-21(13-19)26-16-25-20)23-10-8-18(9-11-23)12-17-4-2-1-3-5-17/h1-7,13,18H,8-12,14-16H2