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

Systemtic Name: 1-(5-butanoyl-3-cyano-6-ethylsulfanyl-pyridin-2-yl)-N-(1-phenylcyclopropyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-(5-butanoyl-3-cyano-6-ethylsulfanyl-2-pyridyl)-N-(1-phenylcyclopropyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(ethylthio)-5-(1-oxobutyl)-2-pyridinyl]-N-(1-phenylcyclopropyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-(5-butanoyl-3-cyano-6-ethylsulfanylpyridin-2-yl)-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-[5-butyryl-3-cyano-6-(ethylthio)-2-pyridyl]-N-(1-phenylcyclopropyl)sulfonyl-isonipecotamide Formula: C27H32N4O4S2 MolecularWeight: 540.69738

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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)SCC

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)SCC

InChI

InChI=1S/C27H32N4O4S2/c1-3-8-23(32)22-17-20(18-28)24(29-26(22)36-4-2)31-15-11-19(12-16-31)25(33)30-37(34,35)27(13-14-27)21-9-6-5-7-10-21/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3,(H,30,33)