N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C22H30N2O4S2/c25-22(23-12-15-29-18-21-11-5-14-28-21)20-10-4-13-24(17-20)30(26,27)16-6-9-19-7-2-1-3-8-19/h1-3,5,7-8,11,14,20H,4,6,9-10,12-13,15-18H2,(H,23,25)