1-(2-cyanophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)ethyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylethyl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(phenylmethylthio)ethyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylethyl)-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)ethyl]-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C22H25N3O3S2 MolecularWeight: 443.5822

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2)S(=O)(=O)C3=CC=CC=C3C#N

InChI

InChI=1S/C22H25N3O3S2/c23-16-20-8-4-5-9-21(20)30(27,28)25-13-10-19(11-14-25)22(26)24-12-15-29-17-18-6-2-1-3-7-18/h1-9,19H,10-15,17H2,(H,24,26)