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

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Properties Simple | Detailed

Formula C25H28N4O5S
IUPAC Name methyl 4-[4-[4-(1,1,3-trioxo-5,6-dihydro-1,2-benzothiazole-5,6-diid-2-yl)butyl]piperazin-1-yl]indol-1-ium-2-carboxylate
Molecular Mass 496.579 g·mol−1
Heat of Formation 118.0 ± 16.7 kJ·mol−1
Dipole Moment 2.77 ± 1.08 D
Volume 563.43 Å 3
Surface Area 416.4 Å 2
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
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