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

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(2-thienylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(thiophen-2-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Traditional Name: 1-(3,4-dimethylphenyl)sulfonyl-N-[2-(2-thenylthio)ethyl]isonipecotamide Formula: C21H28N2O3S3 MolecularWeight: 452.65362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CS3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CC=CS3)C

InChI

InChI=1S/C21H28N2O3S3/c1-16-5-6-20(14-17(16)2)29(25,26)23-10-7-18(8-11-23)21(24)22-9-13-27-15-19-4-3-12-28-19/h3-6,12,14,18H,7-11,13,15H2,1-2H3,(H,22,24)