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

Systemtic Name: 1-(4-cyanophenyl)sulfonyl-N-[2-(phenylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: N-(2-benzylsulfanylphenyl)-1-(4-cyanophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(4-cyanophenyl)sulfonyl-N-[2-(phenylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: N-(2-benzylsulfanylphenyl)-1-(4-cyanophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-[2-(benzylthio)phenyl]-1-(4-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=C(C=C4)C#N

Isomeric SMILES

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

InChI

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