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Molecular modeling was performed using Macromodel 5.5 (Amber* force field) [F. Mohamadi et al., J. Comput. Chem. 11, 440 (1990)]. The positions of the sulfamide hydrogens were assumed to be time-averaged in the plane of the aromatic ring.
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26
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3543126756
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note
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1H NMR spectrum after 30 hours.
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27
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3543139680
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note
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4G′ was obtained by integration of the N-H signals of the two species. The equilibrium may be described as follows: (Equation Presented)
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28
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3543102247
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note
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These compounds were prepared by monoalkylation of the corresponding urea and cyclic sulfamide with 1-bromodecane. The presence of the long alkyl chain is necessary for good solubility in noncompetitive solvents.
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29
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3543060195
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note
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Supported by NIH and the Skaggs Research Foundation. T.M. thanks the Ministerio de Educación y Cultura of Spain for providing postdoctoral fellowship support. U.O. thanks the Deutsche Forschungsgemeinschaft for a postdoctoral fellowship.
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