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

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonyl-piperidine-3-carboxamide Openeye Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(2-thienylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-1-thiophen-2-ylsulfonyl-3-piperidinecarboxamide IUPAC Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-thiophen-2-ylsulfonylpiperidine-3-carboxamide Traditional Name: N-[2-[(3-chlorobenzyl)thio]ethyl]-1-(2-thienylsulfonyl)nipecotamide Formula: C19H23ClN2O3S3 MolecularWeight: 459.04552

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSCC3=CC(=CC=C3)Cl

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=CS2)C(=O)NCCSCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H23ClN2O3S3/c20-17-6-1-4-15(12-17)14-26-11-8-21-19(23)16-5-2-9-22(13-16)28(24,25)18-7-3-10-27-18/h1,3-4,6-7,10,12,16H,2,5,8-9,11,13-14H2,(H,21,23)