N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]-1-(phenylmethyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-benzylsulfonyl-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide CAS Name: N-[2-[(3-chlorophenyl)methylthio]ethyl]-1-(phenylmethyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-benzylsulfonyl-N-[2-[(3-chlorophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-benzylsulfonyl-N-[2-[(3-chlorobenzyl)thio]ethyl]isonipecotamide Formula: C22H27ClN2O3S2 MolecularWeight: 467.04438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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