2-({2-[4-(4-Chlorobenzoyl)Phenoxy]-2-Methylpropanoyl}Amino)Ethanesulfonate

Molecule SVG Image

Properties Simple | Detailed

Formula C19H19ClNO6S-
IUPAC Name 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]ethanesulfonate
Molecular Mass 424.875 g·mol−1
Heat of Formation 1372.3 ± 16.7 kJ·mol−1
Dipole Moment 9.13 ± 1.08 D
Volume 373.64 Å 3
Surface Area 344.28 Å 2
HOMO Energy -8.65 ± 0.55 eV
LUMO Energy -2.56 ± eV
Point Group Symmetry C1
Synonyms
  • 2-[[2-[4-(4-chlorobenzoyl)phenoxy]-2-methyl-propanoyl]amino]ethanesulfonate
  • 2-[[2-[4-(4-chlorophenyl)carbonylphenoxy]-2-methyl-propanoyl]amino]ethanesulfonate
  • 2-[[2-[4-[(4-chlorophenyl)-oxomethyl]phenoxy]-2-methyl-1-oxopropyl]amino]ethanesulfonate
  • alfa-1081
  • alpha-1081
  • ethanesulfonic acid, 2-((2-(4-(4-chlorobenzoyl)phenoxy)-2-methyl-1-oxopropyl)amino)-, compd. with cholestyramine
CAS Number(s)
  • 90932-92-6
InChIKey IYNIXDBLAVOMAW-UHFFFAOYSA-M
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements S N C O Cl