4-[(6-Chloro-2-Naphthyl)Sulfonyl]-1-({4-[(E)-(Hydroxyimino)Methyl]-1-(4-Pyridinyl)-4-Piperidinyl}Methyl)-2-Piperazinone

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Properties Simple | Detailed

Formula C26H28ClN5O4S
IUPAC Name (4e)-4-[[(4s)-4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)piperidine-4-carbaldehyde oxime
Molecular Mass 542.050 g·mol−1
Heat of Formation -226.0 ± 16.7 kJ·mol−1
Dipole Moment 8.54 ± 1.08 D
Volume 604.06 Å 3
Surface Area 493.47 Å 2
HOMO Energy -8.41 ± 0.55 eV
LUMO Energy -1.83 ± eV
Point Group Symmetry C1
Synonyms
  • 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-[(e)-hydroxyiminomethyl]-1-pyridin-4-yl-piperidin-4-yl]methyl]piperazin-2-one
  • 4-(6-chloronaphthalen-2-yl)sulfonyl-1-[[4-[(e)-hydroxyiminomethyl]-1-pyridin-4-ylpiperidin-4-yl]methyl]piperazin-2-one
  • 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[4-hydroxyiminomethyl-1-(4-pyridinyl)-4-piperidinyl]methyl]piperazinone
  • 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-keto-piperazin-1-yl]methyl]-1-(4-pyridyl)isonipecotaldehyde oxime
  • 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-1-piperazinyl]methyl]-1-(4-pyridyl)-4-piperidinecarboxaldehyde oxime
  • 4-[[4-[(6-chloro-2-naphthyl)sulfonyl]-2-oxo-piperazin-1-yl]methyl]-1-(4-pyridyl)piperidine-4-carbaldehyde oxime
  • xme
InChIKey UELXXBOTHARRQL-RDRPBHBLSA-N
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