Methyl 4-(4-(4-(1,1,3-Trioxo-2H-1,2-Benzoisothiazol-2-Yl)Butyl)-1-Piperazinyl)-1H-Indole-2-Carboxylate

Molecule SVG Image

Properties Simple | Detailed

Formula C25H28N4O5S
IUPAC Name methyl 4-[4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperazin-1-yl]-1h-indole-2-carboxylate
Molecular Mass 496.579 g·mol−1
Heat of Formation -543.1 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 567.25 Å 3
Surface Area 415.97 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry C1
Synonyms
  • 1h-indole-2-carboxylic acid, 4-(4-(4-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3h)-yl)butyl)-1-piperazinyl)-, methyl ester
  • 1h-indole-2-carboxylic acid, 4-(4-(4-(3-oxo-1,2-benzisothiazol-2(3h)-yl)butyl)-1-piperazinyl)-, methyl ester, s,s-dioxide
  • 4-[4-[4-(1,1,3-triketo-1,2-benzothiazol-2-yl)butyl]piperazin-1-yl]-1h-indole-2-carboxylic acid methyl ester
  • 4-[4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]-1-piperazinyl]-1h-indole-2-carboxylic acid methyl ester
  • methyl 4-[4-[4-(1,1,3-trioxo-1,2-benzothiazol-2-yl)butyl]piperazin-1-yl]-1h-indole-2-carboxylate
  • pdsp1_000565
  • pdsp2_000563
  • sdz 216-525
  • sdz-216-525
CAS Number(s)
  • 141533-35-9
InChIKey LPPRLWFUMJHAKF-UHFFFAOYSA-N
QR Code Generate QR Code
DOI
Downloads Get JSON data Get MOL2 data Get SVG Image
Elements H S C O N