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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CSCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

Isomeric SMILES

CC1=CC=CC=C1CSCCNC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CS3

InChI

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