N-tert-butyl-1-[2-oxidanyl-5-oxidanylidene-3-(phenylmethyl)-5-quinolin-2-yl-pentyl]-4-(pyridin-3-ylmethylsulfanyl)piperidine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[2-oxidanyl-5-oxidanylidene-3-(phenylmethyl)-5-quinolin-2-yl-pentyl]-4-(pyridin-3-ylmethylsulfanyl)piperidine-2-carboxamide Openeye Name: 1-[3-benzyl-2-hydroxy-5-oxo-5-(2-quinolyl)pentyl]-N-tert-butyl-4-(3-pyridylmethylsulfanyl)piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-5-oxo-3-(phenylmethyl)-5-(2-quinolinyl)pentyl]-4-(3-pyridinylmethylthio)-2-piperidinecarboxamide IUPAC Name: 1-(3-benzyl-2-hydroxy-5-oxo-5-quinolin-2-ylpentyl)-N-tert-butyl-4-(pyridin-3-ylmethylsulfanyl)piperidine-2-carboxamide Traditional Name: 1-[3-benzyl-2-hydroxy-5-keto-5-(2-quinolyl)pentyl]-N-tert-butyl-4-(3-pyridylmethylthio)pipecolinamide Formula: C37H44N4O3S MolecularWeight: 624.83526

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1CC(CCN1CC(C(CC2=CC=CC=C2)CC(=O)C3=NC4=CC=CC=C4C=C3)O)SCC5=CN=CC=C5

Isomeric SMILES

CC(C)(C)NC(=O)C1CC(CCN1CC(C(CC2=CC=CC=C2)CC(=O)C3=NC4=CC=CC=C4C=C3)O)SCC5=CN=CC=C5

InChI

InChI=1S/C37H44N4O3S/c1-37(2,3)40-36(44)33-22-30(45-25-27-12-9-18-38-23-27)17-19-41(33)24-35(43)29(20-26-10-5-4-6-11-26)21-34(42)32-16-15-28-13-7-8-14-31(28)39-32/h4-16,18,23,29-30,33,35,43H,17,19-22,24-25H2,1-3H3,(H,40,44)