N-[2-(phenylmethylsulfanyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-(phenylmethylsulfanyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-benzylsulfonyl-piperidine-4-carboxamide CAS Name: 1-(phenylmethyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-benzylsulfonylpiperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(benzylthio)ethyl]isonipecotamide Formula: C22H28N2O3S2 MolecularWeight: 432.59932

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H28N2O3S2/c25-22(23-13-16-28-17-19-7-3-1-4-8-19)21-11-14-24(15-12-21)29(26,27)18-20-9-5-2-6-10-20/h1-10,21H,11-18H2,(H,23,25)