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4-bromo-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide

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4-bromo-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
SpectraBase Compound ID 6XdHGVEmizD
InChI InChI=1S/C17H18BrN5O4S/c1-9-10(2)21-27-17(9)22-28(25,26)13-7-5-12(6-8-13)19-16(24)15-14(18)11(3)23(4)20-15/h5-8,22H,1-4H3,(H,19,24)
InChIKey LLTCFVYOSSQTJJ-UHFFFAOYSA-N
Mol Weight 468.33 g/mol
Molecular Formula C17H18BrN5O4S
Exact Mass 467.026288 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 46kk4N5o9Kq
Name 4-Bromo-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-1,5-dimethyl-1H-pyrazole-3-carboxamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 467.026288250 u
Formula C17H18BrN5O4S
InChI InChI=1S/C17H18BrN5O4S/c1-9-10(2)21-27-17(9)22-28(25,26)13-7-5-12(6-8-13)19-16(24)15-14(18)11(3)23(4)20-15/h5-8,22H,1-4H3,(H,19,24)
InChIKey LLTCFVYOSSQTJJ-UHFFFAOYSA-N
Molecular Weight 468.326 g/mol
SMILES N(C=1C=CC(S(NC2=C(C(C)=NO2)C)(=O)=O)=CC1)C(C1=NN(C)C(=C1Br)C)=O