1-(5-butanoyl-3-cyano-6-propylsulfanyl-pyridin-2-yl)-N-(1-phenylcyclopropyl)sulfonyl-piperidine-4-carboxamide

Systemtic Name: 1-(5-butanoyl-3-cyano-6-propylsulfanyl-pyridin-2-yl)-N-(1-phenylcyclopropyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(5-butanoyl-3-cyano-6-propylsulfanyl-2-pyridyl)-N-(1-phenylcyclopropyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[3-cyano-5-(1-oxobutyl)-6-(propylthio)-2-pyridinyl]-N-(1-phenylcyclopropyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-(5-butanoyl-3-cyano-6-propylsulfanylpyridin-2-yl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-[5-butyryl-3-cyano-6-(propylthio)-2-pyridyl]-N-(1-phenylcyclopropyl)sulfonyl-isonipecotamide Formula: C28H34N4O4S2 MolecularWeight: 554.72396

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)C3(CC3)C4=CC=CC=C4)SCCC

Isomeric SMILES

CCCC(=O)C1=C(N=C(C(=C1)C#N)N2CCC(CC2)C(=O)NS(=O)(=O)C3(CC3)C4=CC=CC=C4)SCCC

InChI

InChI=1S/C28H34N4O4S2/c1-3-8-24(33)23-18-21(19-29)25(30-27(23)37-17-4-2)32-15-11-20(12-16-32)26(34)31-38(35,36)28(13-14-28)22-9-6-5-7-10-22/h5-7,9-10,18,20H,3-4,8,11-17H2,1-2H3,(H,31,34)