1-[1-[[2,5-bis(chloranyl)phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide

Systemtic Name: 1-[1-[[2,5-bis(chloranyl)phenyl]carbonylamino]-2-oxidanyl-4-phenyl-butyl]-N-tert-butyl-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide Openeye Name: N-tert-butyl-1-[1-[(2,5-dichlorobenzoyl)amino]-2-hydroxy-4-phenyl-butyl]-2-(4-pyridylsulfanyl)piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[1-[[(2,5-dichlorophenyl)-oxomethyl]amino]-2-hydroxy-4-phenylbutyl]-2-(pyridin-4-ylthio)-2-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[1-[(2,5-dichlorobenzoyl)amino]-2-hydroxy-4-phenylbutyl]-2-pyridin-4-ylsulfanylpiperidine-2-carboxamide Traditional Name: N-tert-butyl-1-[1-[(2,5-dichlorobenzoyl)amino]-2-hydroxy-4-phenyl-butyl]-2-(4-pyridylthio)pipecolinamide Formula: C32H38Cl2N4O3S MolecularWeight: 629.64012

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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(=C3)Cl)Cl)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(=C3)Cl)Cl)SC4=CC=NC=C4

InChI

InChI=1S/C32H38Cl2N4O3S/c1-31(2,3)37-30(41)32(42-24-15-18-35-19-16-24)17-7-8-20-38(32)28(27(39)14-11-22-9-5-4-6-10-22)36-29(40)25-21-23(33)12-13-26(25)34/h4-6,9-10,12-13,15-16,18-19,21,27-28,39H,7-8,11,14,17,20H2,1-3H3,(H,36,40)(H,37,41)