N'-oxidanyl-N-[4-[2-phenyl-6-(pyridin-4-ylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanediamide

Systemtic Name: N'-oxidanyl-N-[4-[2-phenyl-6-(pyridin-4-ylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanediamide Openeye Name: 8-(hydroxyamino)-8-oxo-N-[4-[2-phenyl-6-(4-pyridylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanamide CAS Name: N'-hydroxy-N-[4-[2-phenyl-6-[(pyridin-4-ylthio)methyl]-1,3-dioxan-4-yl]phenyl]octanediamide IUPAC Name: N'-hydroxy-N-[4-[2-phenyl-6-(pyridin-4-ylsulfanylmethyl)-1,3-dioxan-4-yl]phenyl]octanediamide Traditional Name: 8-(hydroxyamino)-8-keto-N-[4-[2-phenyl-6-[(4-pyridylthio)methyl]-1,3-dioxan-4-yl]phenyl]caprylamide Formula: C30H35N3O5S MolecularWeight: 549.681

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC(OC1C2=CC=C(C=C2)NC(=O)CCCCCCC(=O)NO)C3=CC=CC=C3)CSC4=CC=NC=C4

Isomeric SMILES

C1C(OC(OC1C2=CC=C(C=C2)NC(=O)CCCCCCC(=O)NO)C3=CC=CC=C3)CSC4=CC=NC=C4

InChI

InChI=1S/C30H35N3O5S/c34-28(10-6-1-2-7-11-29(35)33-36)32-24-14-12-22(13-15-24)27-20-25(21-39-26-16-18-31-19-17-26)37-30(38-27)23-8-4-3-5-9-23/h3-5,8-9,12-19,25,27,30,36H,1-2,6-7,10-11,20-21H2,(H,32,34)(H,33,35)