(3S,5R)-N-{[9-(4-Methoxybutyl)-9H-Xanthen-9-Yl]Methyl}-5-{[(4-Methylphenyl)Sulfonyl]Amino}-3-Piperidinecarboxamide

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Formula C32H39N3O5S
IUPAC Name (3s,5r)-n-[[9-(4-methoxybutyl)xanthen-9-yl]methyl]-5-(p-tolylsulfonylamino)piperidine-3-carboxamide
Molecular Mass 577.734 g·mol−1
Heat of Formation -661.3 ± 16.7 kJ·mol−1
Dipole Moment 6.69 ± 1.08 D
Volume 688.96 Å 3
Surface Area 561.74 Å 2
HOMO Energy -8.90 ± 0.55 eV
LUMO Energy -0.79 ± eV
Point Group Symmetry C1
Synonyms
  • (3s,5r)-n-[[9-(4-methoxybutyl)-9-xanthenyl]methyl]-5-[(4-methylphenyl)sulfonylamino]-3-piperidinecarboxamide
  • (3s,5r)-n-[[9-(4-methoxybutyl)xanthen-9-yl]methyl]-5-[(4-methylphenyl)sulfonylamino]nipecotamide
  • (3s,5r)-n-[[9-(4-methoxybutyl)xanthen-9-yl]methyl]-5-[(4-methylphenyl)sulfonylamino]piperidine-3-carboxamide
InChIKey LBPUIWQYAGTBDC-LOSJGSFVSA-N
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