(1-{2-[(Methylsulfonyl)Amino]Ethyl}-4-Piperidinyl)Methyl 1-Methyl-1H-Indole-3-Carboxylate

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Properties Simple | Detailed

Formula C19H27N3O4S
IUPAC Name [1-[2-(methanesulfonamido)ethyl]-4-piperidyl]methyl 1-methylindol-1-ium-3-carboxylate
Molecular Mass 393.500 g·mol−1
Heat of Formation -563.8 ± 16.7 kJ·mol−1
Dipole Moment 8.88 ± 1.08 D
Volume 466.09 Å 3
Surface Area 420.48 Å 2
HOMO Energy -8.75 ± 0.55 eV
LUMO Energy -0.36 ± eV
Point Group Symmetry C1
Synonyms
  • (1-(2-(methylsulfonylamino)ethyl)-4-piperidinyl)methyl 1-methyl-1h-indole-3-carboxylate
  • 1-[2-[(methylsulfonyl)-amino]ethyl]-4-piperidinyl]methyl 1-methyl-1h-indole-3-carboxylate
  • 1-methyl-3-indolecarboxylic acid [1-(2-methanesulfonamidoethyl)-4-piperidinyl]methyl ester
  • 1-methylindole-3-carboxylic acid [1-(2-methanesulfonamidoethyl)-4-piperidyl]methyl ester
  • 1h-indole-3-carboxylic acid, 1-methyl-, (1-(2-((methylsulfonyl)amino)ethyl)-4-piperidinyl)methyl ester
  • [1-(2-methanesulfonamidoethyl)-4-piperidyl]methyl 1-methylindole-3-carboxylate
  • [1-(2-methanesulfonamidoethyl)piperidin-4-yl]methyl 1-methylindole-3-carboxylate
  • [1-[2-(methylsulfonylamino)ethyl]piperidin-4-yl]methyl 1-methylindole-3-carboxylate
  • gr 113808
  • gr 125487
  • gr-113808
  • tocris-1322
CAS Number(s)
  • 144625-51-4
InChIKey MOZPSIXKYJUTKI-UHFFFAOYSA-N
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