6-Chloro-N-[(2S)-3-(1,1-Dioxido-4-Thiomorpholinyl)-3-Oxo-2-({[1-(4-Pyridinyl)-4-Piperidinyl]Methyl}Amino)Propyl]-2-Naphthalenesulfonamide

Molecule SVG Image

Properties Simple | Detailed

Formula C28H34ClN5O5S2
IUPAC Name 6-chloro-n-[(2s)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxo-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]propyl]naphthalene-2-sulfonamide
Molecular Mass 620.183 g·mol−1
Heat of Formation -626.2 ± 16.7 kJ·mol−1
Dipole Moment 3.70 ± 1.08 D
Volume 691.28 Å 3
Surface Area 520.57 Å 2
HOMO Energy -8.86 ± 0.55 eV
LUMO Energy -1.34 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[(2r)-3-[[(6-chloro-2-naphthalenyl)sulfonyl]amino]-1-oxo-2-[[[1-(4-pyridinyl)-4-piperidinyl]methyl]amino]propyl]-thiomorpholine-1,1-dioxide
  • 6-chloro-n-[(2s)-3-(1,1-diketo-1,4-thiazinan-4-yl)-3-keto-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]propyl]naphthalene-2-sulfonamide
  • 6-chloro-n-[(2s)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxo-2-[[1-(4-pyridyl)-4-piperidinyl]methylamino]propyl]-2-naphthalenesulfonamide
  • 6-chloro-n-[(2s)-3-(1,1-dioxo-1,4-thiazinan-4-yl)-3-oxo-2-[[1-(4-pyridyl)-4-piperidyl]methylamino]propyl]naphthalene-2-sulfonamide
  • xmb
InChIKey PCKATVPAEVWNGE-MHZLTWQESA-N
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