2-Methyl-2-Propanyl 4-({[4-(2-Butyn-1-Ylamino)Phenyl]Sulfonyl}Methyl)-4-(Hydroxycarbamoyl)-1-Piperidinecarboxylate

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Properties Simple | Detailed

Formula C22H31N3O6S
IUPAC Name tert-butyl 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylate
Molecular Mass 465.563 g·mol−1
Heat of Formation -776.8 ± 16.7 kJ·mol−1
Dipole Moment 12.11 ± 1.08 D
Volume 546.6 Å 3
Surface Area 453.86 Å 2
HOMO Energy -8.95 ± 0.55 eV
LUMO Energy 2.61 ± eV
Point Group Symmetry C1
Synonyms
  • 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-(hydroxycarbamoyl)piperidine-1-carboxylic acid tert-butyl ester
  • 4-[[4-(but-2-ynylamino)phenyl]sulfonylmethyl]-4-[(hydroxyamino)-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester
InChIKey RXFCFGLSOUOCEA-UHFFFAOYSA-N
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