Ethyl (2R)-4-[(6-Chloro-2-Naphthyl)Sulfonyl]-1-{[1-(4-Pyridinyl)-4-Piperidinyl]Methyl}-2-Piperazinecarboxylate

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Properties Simple | Detailed

Formula C28H33ClN4O4S
IUPAC Name ethyl (1s,2r,4r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylate
Molecular Mass 557.104 g·mol−1
Heat of Formation -451.8 ± 16.7 kJ·mol−1
Dipole Moment 4.63 ± 1.08 D
Volume 640.86 Å 3
Surface Area 515.82 Å 2
HOMO Energy -8.66 ± 0.55 eV
LUMO Energy -1.71 ± eV
Point Group Symmetry C1
Synonyms
  • (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester
  • (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylic acid ethyl ester
  • 4-[(6-chloro-2-naphthalenyl)sulfonyl]-1-[[1-(4-pyridinyl)-4-piperidinyl]methyl]-2-piperazinecarboxylic acid ethyl ester
  • ethyl (2r)-4-(6-chloronaphthalen-2-yl)sulfonyl-1-[(1-pyridin-4-ylpiperidin-4-yl)methyl]piperazine-2-carboxylate
  • ethyl (2r)-4-[(6-chloro-2-naphthyl)sulfonyl]-1-[[1-(4-pyridyl)-4-piperidyl]methyl]piperazine-2-carboxylate
  • xmh
InChIKey KTOZABIXRDAUJO-HHHXNRCGSA-N
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Elements C Cl H O N S