1-ethylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide

Systemtic Name: 1-ethylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Openeye Name: 1-ethylsulfonyl-N-[4-(3-pyridylmethylsulfanyl)phenyl]piperidine-4-carboxamide CAS Name: 1-ethylsulfonyl-N-[4-(3-pyridinylmethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-ethylsulfonyl-N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]piperidine-4-carboxamide Traditional Name: 1-esyl-N-[4-(3-pyridylmethylthio)phenyl]isonipecotamide Formula: C20H25N3O3S2 MolecularWeight: 419.5608

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Descriptors Computed from Structure

Canonical SMILES:

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

Isomeric SMILES

CCS(=O)(=O)N1CCC(CC1)C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3

InChI

InChI=1S/C20H25N3O3S2/c1-2-28(25,26)23-12-9-17(10-13-23)20(24)22-18-5-7-19(8-6-18)27-15-16-4-3-11-21-14-16/h3-8,11,14,17H,2,9-10,12-13,15H2,1H3,(H,22,24)