4-[4-(3-Cyclopentylpropyl)-5-Oxo-4,5-Dihydro-1H-Tetrazol-1-Yl]-N-[4-(2-{[(2R)-2-Hydroxy-2-(3-Pyridinyl)Ethyl]Amino}Ethyl)Phenyl]Benzenesulfonamide

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Properties Simple | Detailed

Formula C30H37N7O4S
IUPAC Name 4-[4-(3-cyclopentylpropyl)-5-oxo-tetrazole-1,4-diium-1-yl]-n-[4-[2-[[(2r)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzenesulfonamide
Molecular Mass 591.724 g·mol−1
Heat of Formation -230.7 ± 16.7 kJ·mol−1
Dipole Moment 6.86 ± 1.08 D
Volume 710.45 Å 3
Surface Area 511.34 Å 2
HOMO Energy -8.62 ± 0.55 eV
LUMO Energy -1.28 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[4-(3-cyclopentylpropyl)-5-keto-tetrazol-1-yl]-n-[4-[2-[[(2r)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzenesulfonamide
  • 4-[4-(3-cyclopentylpropyl)-5-oxo-1,2,3,4-tetrazol-1-yl]-n-[4-[2-[[(2r)-2-hydroxy-2-pyridin-3-yl-ethyl]amino]ethyl]phenyl]benzenesulfonamide
  • 4-[4-(3-cyclopentylpropyl)-5-oxo-1-tetrazolyl]-n-[4-[2-[[(2r)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzenesulfonamide
  • 4-[4-(3-cyclopentylpropyl)-5-oxo-tetrazol-1-yl]-n-[4-[2-[[(2r)-2-hydroxy-2-(3-pyridyl)ethyl]amino]ethyl]phenyl]benzenesulfonamide
  • 4-[4-(3-cyclopentylpropyl)-5-oxotetrazol-1-yl]-n-[4-[2-[[(2r)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]benzenesulfonamide
InChIKey GCRTUWDFTYDUFB-LJAQVGFWSA-N
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