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

Systemtic Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-pyridin-3-ylsulfonyl-piperidine-4-carboxamide Openeye Name: N-[4-(3-pyridylmethylsulfanyl)phenyl]-1-(3-pyridylsulfonyl)piperidine-4-carboxamide CAS Name: N-[4-(3-pyridinylmethylthio)phenyl]-1-(3-pyridinylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[4-(pyridin-3-ylmethylsulfanyl)phenyl]-1-pyridin-3-ylsulfonylpiperidine-4-carboxamide Traditional Name: N-[4-(3-pyridylmethylthio)phenyl]-1-(3-pyridylsulfonyl)isonipecotamide Formula: C23H24N4O3S2 MolecularWeight: 468.59166

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCC1C(=O)NC2=CC=C(C=C2)SCC3=CN=CC=C3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H24N4O3S2/c28-23(19-9-13-27(14-10-19)32(29,30)22-4-2-12-25-16-22)26-20-5-7-21(8-6-20)31-17-18-3-1-11-24-15-18/h1-8,11-12,15-16,19H,9-10,13-14,17H2,(H,26,28)