(2S)-4-[(6-Chloro-2-Naphthyl)Sulfonyl]-1-{[1-(4-Pyridinyl)-4-Piperidinyl]Methyl}-2-Piperazinecarboxylic Acid

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Properties Simple | Detailed

Formula C26H29ClN4O4S
IUPAC Name (1r,2s,4r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid
Molecular Mass 529.051 g·mol−1
Heat of Formation -405.6 ± 16.7 kJ·mol−1
Dipole Moment 7.53 ± 1.08 D
Volume 601.11 Å 3
Surface Area 497.48 Å 2
HOMO Energy -8.39 ± 0.55 eV
LUMO Energy -1.79 ± eV
Point Group Symmetry C1
Synonyms
  • (2s)-4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylic acid
  • (2s)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid
  • (2s)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid
  • 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl] methyl]-2-piperazinecarboxylic acid
  • xmg
InChIKey QLUPDKQDBWRPGQ-VWLOTQADSA-N
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Elements C Cl H O N S