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

Systemtic Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(2-furylmethylsulfanyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(2-furanylmethylthio)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-(furan-2-ylmethylsulfanyl)ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(2-furfurylthio)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C17H22N2O4S3 MolecularWeight: 414.56258

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSCC3=CC=CO3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSCC3=CC=CO3

InChI

InChI=1S/C17H22N2O4S3/c20-17(18-7-11-24-13-15-5-2-9-23-15)14-4-1-8-19(12-14)26(21,22)16-6-3-10-25-16/h2-3,5-6,9-10,14H,1,4,7-8,11-13H2,(H,18,20)