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

Systemtic Name: 1-(4-methylphenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: 1-(p-tolylsulfonyl)-N-[2-(3-thienylmethylsulfanyl)ethyl]piperidine-4-carboxamide CAS Name: 1-(4-methylphenyl)sulfonyl-N-[2-(3-thiophenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(4-methylphenyl)sulfonyl-N-[2-(thiophen-3-ylmethylsulfanyl)ethyl]piperidine-4-carboxamide Traditional Name: N-[2-(3-thenylthio)ethyl]-1-tosyl-isonipecotamide Formula: C20H26N2O3S3 MolecularWeight: 438.62704

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CSC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)NCCSCC3=CSC=C3

InChI

InChI=1S/C20H26N2O3S3/c1-16-2-4-19(5-3-16)28(24,25)22-10-6-18(7-11-22)20(23)21-9-13-27-15-17-8-12-26-14-17/h2-5,8,12,14,18H,6-7,9-11,13,15H2,1H3,(H,21,23)