N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(4-chlorophenyl)methylthio]ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-[(4-chlorobenzyl)thio]ethyl]isonipecotamide Formula: C22H27ClN2O3S2 MolecularWeight: 467.04438

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=C(C=C2)Cl)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C22H27ClN2O3S2/c23-21-8-6-18(7-9-21)16-29-15-12-24-22(26)20-10-13-25(14-11-20)30(27,28)17-19-4-2-1-3-5-19/h1-9,20H,10-17H2,(H,24,26)