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

Systemtic Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylphenyl)-1-(2-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2-cyanophenyl)sulfonyl-N-[2-(phenylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylphenyl)-1-(2-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)phenyl]-1-(2-cyanophenyl)sulfonyl-isonipecotamide Formula: C26H25N3O3S2 MolecularWeight: 491.625

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=CC=C2SCC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C26H25N3O3S2/c27-18-22-10-4-7-13-25(22)34(31,32)29-16-14-21(15-17-29)26(30)28-23-11-5-6-12-24(23)33-19-20-8-2-1-3-9-20/h1-13,21H,14-17,19H2,(H,28,30)