N-tert-butyl-1-[1-[(5-fluoranyl-2-methyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butyl]-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[1-[(5-fluoranyl-2-methyl-phenyl)carbonylamino]-2-oxidanyl-4-phenyl-butyl]-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide Openeye Name: N-tert-butyl-1-[1-[(5-fluoro-2-methyl-benzoyl)amino]-2-hydroxy-4-phenyl-butyl]-2-(4-pyridylsulfanyl)piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[1-[[(5-fluoro-2-methylphenyl)-oxomethyl]amino]-2-hydroxy-4-phenylbutyl]-2-(pyridin-4-ylthio)-2-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[1-[(5-fluoro-2-methylbenzoyl)amino]-2-hydroxy-4-phenylbutyl]-2-pyridin-4-ylsulfanylpiperidine-2-carboxamide Traditional Name: N-tert-butyl-1-[1-[(5-fluoro-2-methyl-benzoyl)amino]-2-hydroxy-4-phenyl-butyl]-2-(4-pyridylthio)pipecolinamide Formula: C33H41FN4O3S MolecularWeight: 592.767043

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)C(=O)NC(C(CCC2=CC=CC=C2)O)N3CCCCC3(C(=O)NC(C)(C)C)SC4=CC=NC=C4

Isomeric SMILES

CC1=C(C=C(C=C1)F)C(=O)NC(C(CCC2=CC=CC=C2)O)N3CCCCC3(C(=O)NC(C)(C)C)SC4=CC=NC=C4

InChI

InChI=1S/C33H41FN4O3S/c1-23-12-14-25(34)22-27(23)30(40)36-29(28(39)15-13-24-10-6-5-7-11-24)38-21-9-8-18-33(38,31(41)37-32(2,3)4)42-26-16-19-35-20-17-26/h5-7,10-12,14,16-17,19-20,22,28-29,39H,8-9,13,15,18,21H2,1-4H3,(H,36,40)(H,37,41)