N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[2-[(4-chlorobenzyl)thio]ethyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C20H24ClN3O3S2 MolecularWeight: 454.00586

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H24ClN3O3S2/c21-18-5-3-16(4-6-18)15-28-13-10-23-20(25)17-7-11-24(12-8-17)29(26,27)19-2-1-9-22-14-19/h1-6,9,14,17H,7-8,10-13,15H2,(H,23,25)