1-(4-ethanoylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(4-ethanoylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(2-thienylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(4-acetylphenyl)sulfonyl-N-[2-(2-thenylthio)ethyl]isonipecotamide Formula: C21H26N2O4S3 MolecularWeight: 466.63714

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CS3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CS3

InChI

InChI=1S/C21H26N2O4S3/c1-16(24)17-4-6-20(7-5-17)30(26,27)23-11-8-18(9-12-23)21(25)22-10-14-28-15-19-3-2-13-29-19/h2-7,13,18H,8-12,14-15H2,1H3,(H,22,25)