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4-methyl-N-(2-oxo-2-{(2E)-2-[(4-oxo-4H-chromen-3-yl)methylene]hydrazino}ethyl)benzenesulfonamide
SpectraBase Compound ID JewKLE9oRqS
InChI InChI=1S/C19H17N3O5S/c1-13-6-8-15(9-7-13)28(25,26)21-11-18(23)22-20-10-14-12-27-17-5-3-2-4-16(17)19(14)24/h2-10,12,21H,11H2,1H3,(H,22,23)/b20-10+
InChIKey BONWRVPSTLLEFD-KEBDBYFISA-N
Mol Weight 399.42 g/mol
Molecular Formula C19H17N3O5S
Exact Mass 399.088892 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4R6kPUF37da
Name 4-Methyl-N-(2-oxo-2-{(2E)-2-[(4-oxo-4H-chromen-3-yl)methylene]hydrazino}ethyl)benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 399.088891828 u
Formula C19H17N3O5S
InChI InChI=1S/C19H17N3O5S/c1-13-6-8-15(9-7-13)28(25,26)21-11-18(23)22-20-10-14-12-27-17-5-3-2-4-16(17)19(14)24/h2-10,12,21H,11H2,1H3,(H,22,23)/b20-10+
InChIKey BONWRVPSTLLEFD-KEBDBYFISA-N
Molecular Weight 399.421 g/mol
SMILES N(\N=C\C=1C(C=2C=CC=CC2OC1)=O)C(CNS(C=1C=CC(=CC1)C)(=O)=O)=O