N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide

Systemtic Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-(p-tolylmethylsulfanyl)ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(4-methylphenyl)methylthio]ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(4-methylphenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(4-methylbenzyl)thio]ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C20H26N2O3S3 MolecularWeight: 438.62704

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CSCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=C(C=C1)CSCCNC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=CS3

InChI

InChI=1S/C20H26N2O3S3/c1-16-6-8-17(9-7-16)15-26-13-10-21-20(23)18-4-2-11-22(14-18)28(24,25)19-5-3-12-27-19/h3,5-9,12,18H,2,4,10-11,13-15H2,1H3,(H,21,23)