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

Systemtic Name: 1-[5-butanoyl-3-cyano-6-(hydroxymethyl)pyridin-2-yl]-N-(1-phenylcyclopropyl)sulfonyl-piperidine-4-carboxamide Openeye Name: 1-[5-butanoyl-3-cyano-6-(hydroxymethyl)-2-pyridyl]-N-(1-phenylcyclopropyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-[3-cyano-6-(hydroxymethyl)-5-(1-oxobutyl)-2-pyridinyl]-N-(1-phenylcyclopropyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: 1-[5-butanoyl-3-cyano-6-(hydroxymethyl)pyridin-2-yl]-N-(1-phenylcyclopropyl)sulfonylpiperidine-4-carboxamide Traditional Name: 1-(5-butyryl-3-cyano-6-methylol-2-pyridyl)-N-(1-phenylcyclopropyl)sulfonyl-isonipecotamide Formula: C26H30N4O5S MolecularWeight: 510.6052

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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)CO

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)CO

InChI

InChI=1S/C26H30N4O5S/c1-2-6-23(32)21-15-19(16-27)24(28-22(21)17-31)30-13-9-18(10-14-30)25(33)29-36(34,35)26(11-12-26)20-7-4-3-5-8-20/h3-5,7-8,15,18,31H,2,6,9-14,17H2,1H3,(H,29,33)