N-(Ethoxymethyl)-N-Methyl-2-(3-Methylbutyl)-4-[(2-Methyl-1H-Imidazo[4,5-C]Pyridin-1-Yl)Methyl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C23H32N4O3S
IUPAC Name n-(ethoxymethyl)-2-isopentyl-n-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-ium-1-yl)methyl]benzenesulfonamide
Molecular Mass 444.590 g·mol−1
Heat of Formation -333.0 ± 16.7 kJ·mol−1
Dipole Moment 9.36 ± 1.08 D
Volume 549.97 Å 3
Surface Area 439.43 Å 2
HOMO Energy -9.28 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • n-(ethoxymethyl)-2-isoamyl-n-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
  • n-(ethoxymethyl)-2-isopentyl-n-methyl-4-[(2-methyl-1-imidazo[4,5-c]pyridinyl)methyl]benzenesulfonamide
  • n-(ethoxymethyl)-2-isopentyl-n-methyl-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
  • n-(ethoxymethyl)-n-methyl-2-(3-methylbutyl)-4-[(2-methylimidazo[4,5-c]pyridin-1-yl)methyl]benzenesulfonamide
  • n-(s)-1-ethoxy-methyl-3-methylbutyl-n-methyl-alpha-(2-methyl-1h-imidazo(4,5-c)pyridin-1-yl)-p-toluenesulfonamide
  • nupafant
CAS Number(s)
  • 139133-27-0
InChIKey QNIIUBCQCSYASU-UHFFFAOYSA-N
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