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

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-(2-furylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-(furan-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-(2-furfurylthio)ethyl]isonipecotamide Formula: C20H26N2O4S2 MolecularWeight: 422.56144

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CO2)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C20H26N2O4S2/c23-20(21-10-14-27-15-19-7-4-13-26-19)18-8-11-22(12-9-18)28(24,25)16-17-5-2-1-3-6-17/h1-7,13,18H,8-12,14-16H2,(H,21,23)