Cyclopentyl (1-{2-Methoxy-4-[(Phenylsulfonyl)Carbamoyl]Benzyl}-1H-Benzimidazol-6-Yl)Carbamate

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Formula C28H28N4O6S
IUPAC Name cyclopentyl n-[3-[[4-(benzenesulfonylcarbamoyl)-2-methoxy-phenyl]methyl]benzimidazol-3-ium-5-yl]carbamate
Molecular Mass 548.610 g·mol−1
Heat of Formation -681.4 ± 16.7 kJ·mol−1
Dipole Moment 2.75 ± 1.08 D
Volume 633.85 Å 3
Surface Area 514.38 Å 2
HOMO Energy -8.50 ± 0.55 eV
LUMO Energy -0.71 ± eV
Point Group Symmetry C1
Synonyms
  • 4-cpcab
  • cyclopentyl n-[3-[[2-methoxy-4-(phenylsulfonylcarbamoyl)phenyl]methyl]benzimidazol-5-yl]carbamate
  • n-(4((6-(((cyclopentyloxy)carbonyl)amino)benzimidazol-1-yl)methyl)-3-methoxybenzoyl)benzenesulfonamide
  • n-[3-[2-methoxy-4-(phenylsulfonylcarbamoyl)benzyl]benzimidazol-5-yl]carbamic acid cyclopentyl ester
  • n-[3-[[2-methoxy-4-[oxo-(phenylsulfonylamino)methyl]phenyl]methyl]-5-benzimidazolyl]carbamic acid cyclopentyl ester
CAS Number(s)
  • 107786-78-7
InChIKey FCZVJRPADUYFBI-UHFFFAOYSA-N
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