N-tert-butyl-1-[2-oxidanyl-4-phenyl-1-[2-(2,4,6-trimethylphenoxy)ethanoylamino]butyl]-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide

Systemtic Name: N-tert-butyl-1-[2-oxidanyl-4-phenyl-1-[2-(2,4,6-trimethylphenoxy)ethanoylamino]butyl]-2-pyridin-4-ylsulfanyl-piperidine-2-carboxamide Openeye Name: N-tert-butyl-1-[2-hydroxy-4-phenyl-1-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butyl]-2-(4-pyridylsulfanyl)piperidine-2-carboxamide CAS Name: N-tert-butyl-1-[2-hydroxy-1-[[1-oxo-2-(2,4,6-trimethylphenoxy)ethyl]amino]-4-phenylbutyl]-2-(pyridin-4-ylthio)-2-piperidinecarboxamide IUPAC Name: N-tert-butyl-1-[2-hydroxy-4-phenyl-1-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butyl]-2-pyridin-4-ylsulfanylpiperidine-2-carboxamide Traditional Name: N-tert-butyl-1-[2-hydroxy-4-phenyl-1-[[2-(2,4,6-trimethylphenoxy)acetyl]amino]butyl]-2-(4-pyridylthio)pipecolinamide Formula: C36H48N4O4S MolecularWeight: 632.85572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C36H48N4O4S/c1-25-22-26(2)32(27(3)23-25)44-24-31(42)38-33(30(41)15-14-28-12-8-7-9-13-28)40-21-11-10-18-36(40,34(43)39-35(4,5)6)45-29-16-19-37-20-17-29/h7-9,12-13,16-17,19-20,22-23,30,33,41H,10-11,14-15,18,21,24H2,1-6H3,(H,38,42)(H,39,43)