1-[1-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide

Systemtic Name: 1-[1-[[2,6-bis(fluoranyl)phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide Openeye Name: N-tert-butyl-1-[1-[(2,6-difluorobenzoyl)amino]-2-hydroxy-4-phenyl-butyl]-2-(4-pyridylsulfanyl)piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[1-[[(2,6-difluorophenyl)-oxomethyl]amino]-2-hydroxy-4-phenylbutyl]-2-(pyridin-4-ylthio)-2-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[1-[(2,6-difluorobenzoyl)amino]-2-hydroxy-4-phenylbutyl]-2-pyridin-4-ylsulfanylpiperidine-2-carboxamide Traditional Name: N-tert-butyl-1-[1-[(2,6-difluorobenzoyl)amino]-2-hydroxy-4-phenyl-butyl]-2-(4-pyridylthio)pipecolinamide Formula: C32H38F2N4O3S MolecularWeight: 596.730926

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)C3=C(C=CC=C3F)F)SC4=CC=NC=C4

Isomeric SMILES

CC(C)(C)NC(=O)C1(CCCCN1C(C(CCC2=CC=CC=C2)O)NC(=O)C3=C(C=CC=C3F)F)SC4=CC=NC=C4

InChI

InChI=1S/C32H38F2N4O3S/c1-31(2,3)37-30(41)32(42-23-16-19-35-20-17-23)18-7-8-21-38(32)28(26(39)15-14-22-10-5-4-6-11-22)36-29(40)27-24(33)12-9-13-25(27)34/h4-6,9-13,16-17,19-20,26,28,39H,7-8,14-15,18,21H2,1-3H3,(H,36,40)(H,37,41)