1-[(3-chlorophenyl)methylsulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-[(3-chlorophenyl)methylsulfonyl]-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: 1-[(3-chlorophenyl)methylsulfonyl]-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-[(3-chlorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(3-chlorobenzyl)sulfonyl-isonipecotamide Formula: C22H27ClN2O3S2 MolecularWeight: 467.04438

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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