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(2E)-3-(3,4-dichlorophenyl)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-propenamide

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(2E)-3-(3,4-dichlorophenyl)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-propenamide
SpectraBase Compound ID Ht6Zm1aaoWk
InChI InChI=1S/C20H17Cl2N3O4S/c1-12-13(2)24-29-20(12)25-30(27,28)16-7-5-15(6-8-16)23-19(26)10-4-14-3-9-17(21)18(22)11-14/h3-11,25H,1-2H3,(H,23,26)/b10-4+
InChIKey DVGOYZBJCNZRRT-ONNFQVAWSA-N
Mol Weight 466.34 g/mol
Molecular Formula C20H17Cl2N3O4S
Exact Mass 465.031683 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 8EzE0p9zFUs
Name (2E)-3-(3,4-Dichlorophenyl)-N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2-propenamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 465.031682609 u
Formula C20H17Cl2N3O4S
InChI InChI=1S/C20H17Cl2N3O4S/c1-12-13(2)24-29-20(12)25-30(27,28)16-7-5-15(6-8-16)23-19(26)10-4-14-3-9-17(21)18(22)11-14/h3-11,25H,1-2H3,(H,23,26)/b10-4+
InChIKey DVGOYZBJCNZRRT-ONNFQVAWSA-N
Molecular Weight 466.339 g/mol
SMILES N(C1=C(C(C)=NO1)C)S(C=1C=CC(NC(\C=C\C=2C=C(Cl)C(=CC2)Cl)=O)=CC1)(=O)=O