N-(2-phenylsulfanylethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-(2-phenylsulfanylethyl)-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-(2-phenylsulfanylethyl)-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-(phenylthio)ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-(2-phenylsulfanylethyl)-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-(phenylthio)ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C18H22N2O3S3 MolecularWeight: 410.57388

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C18H22N2O3S3/c21-18(19-10-13-24-16-7-2-1-3-8-16)15-6-4-11-20(14-15)26(22,23)17-9-5-12-25-17/h1-3,5,7-9,12,15H,4,6,10-11,13-14H2,(H,19,21)