(3S)-4-{[4-(2-Butyn-1-Yloxy)Phenyl]Sulfonyl}-N-Hydroxy-2,2-Dimethyl-3-Thiomorpholinecarboxamide

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Properties Simple | Detailed

Formula C17H22N2O5S2
IUPAC Name (3s,4r)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid
Molecular Mass 398.497 g·mol−1
Heat of Formation -453.4 ± 16.7 kJ·mol−1
Dipole Moment 9.88 ± 1.08 D
Volume 450.11 Å 3
Surface Area 376.49 Å 2
HOMO Energy -8.25 ± 0.55 eV
LUMO Energy -0.66 ± eV
Point Group Symmetry C1
Synonyms
  • (3s)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-3-thiomorpholinecarbohydroxamic acid
  • (3s)-4-(4-but-2-ynoxyphenyl)sulfonyl-2,2-dimethyl-thiomorpholine-3-carbohydroxamic acid
  • (3s)-4-(4-but-2-ynoxyphenyl)sulfonyl-n-hydroxy-2,2-dimethyl-thiomorpholine-3-carboxamide
  • (3s)-4-(4-but-2-ynoxyphenyl)sulfonyl-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
  • (3s)-4-{[4-(but-2-ynyloxy)phenyl]sulfonyl}-n-hydroxy-2,2-dimethylthiomorpholine-3-carboxamide
InChIKey CVZIHNYAZLXRRS-HNNXBMFYSA-N
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