2-(2-Methylphenyl)-3-{4-[2-(1-Piperidinyl)Ethoxy]Benzoyl}-1-Benzothiophen-6-Yl Sulfamate

Molecule SVG Image

Properties Simple | Detailed

Formula C29H30N2O5S2
IUPAC Name [2-(o-tolyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] sulfamate
Molecular Mass 550.689 g·mol−1
Heat of Formation -514.1 ± 16.7 kJ·mol−1
Dipole Moment 4.21 ± 1.08 D
Volume 626.77 Å 3
Surface Area 532.99 Å 2
HOMO Energy -8.74 ± 0.55 eV
LUMO Energy 2.20 ± eV
Point Group Symmetry C1
Synonyms
  • [2-(2-methylphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]carbonyl-1-benzothiophen-6-yl] sulfamate
  • [2-(2-methylphenyl)-3-[4-[2-(1-piperidyl)ethoxy]benzoyl]benzothiophen-6-yl] sulfamate
  • sulfamic acid [2-(2-methylphenyl)-3-[4-(2-piperidinoethoxy)benzoyl]benzothiophen-6-yl] ester
  • sulfamic acid [2-(2-methylphenyl)-3-[oxo-[4-[2-(1-piperidyl)ethoxy]phenyl]methyl]-6-benzothiophenyl] ester
CAS Number(s)
  • 6473-40-1
InChIKey VTDFZTNAYABCAN-UHFFFAOYSA-N
QR Code Generate QR Code
Links PubChem ChemSpider
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N