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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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