1-(2-cyanophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(3-thienylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(3-thiophenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(3-thenylthio)ethyl]isonipecotamide Formula: C20H23N3O3S3 MolecularWeight: 449.60992

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CSC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C20H23N3O3S3/c21-13-18-3-1-2-4-19(18)29(25,26)23-9-5-17(6-10-23)20(24)22-8-12-28-15-16-7-11-27-14-16/h1-4,7,11,14,17H,5-6,8-10,12,15H2,(H,22,24)