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3,4-dichloro-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide
SpectraBase Compound ID 4WMqFrjXyEa
InChI InChI=1S/C17H13Cl2N3O4S/c1-10-8-16(21-26-10)22-27(24,25)13-5-3-12(4-6-13)20-17(23)11-2-7-14(18)15(19)9-11/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKey DRRCQQFLVIBMJI-UHFFFAOYSA-N
Mol Weight 426.27 g/mol
Molecular Formula C17H13Cl2N3O4S
Exact Mass 425.000382 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4DG9XudlDdW
Name 3,4-Dichloro-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 425.000382481 u
Formula C17H13Cl2N3O4S
InChI InChI=1S/C17H13Cl2N3O4S/c1-10-8-16(21-26-10)22-27(24,25)13-5-3-12(4-6-13)20-17(23)11-2-7-14(18)15(19)9-11/h2-9H,1H3,(H,20,23)(H,21,22)
InChIKey DRRCQQFLVIBMJI-UHFFFAOYSA-N
Molecular Weight 426.274 g/mol
SMILES N(S(C=1C=CC(NC(C=2C=C(Cl)C(=CC2)Cl)=O)=CC1)(=O)=O)C1=NOC(=C1)C