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N-(4-chlorobenzyl)-4-methyl-N-{2-oxo-2-[(2E)-2-(2-thienylmethylene)hydrazino]ethyl}benzenesulfonamide
SpectraBase Compound ID LPUxvc5YW5K
InChI InChI=1S/C21H20ClN3O3S2/c1-16-4-10-20(11-5-16)30(27,28)25(14-17-6-8-18(22)9-7-17)15-21(26)24-23-13-19-3-2-12-29-19/h2-13H,14-15H2,1H3,(H,24,26)/b23-13+
InChIKey YDSYTKARDWSKRX-YDZHTSKRSA-N
Mol Weight 461.98 g/mol
Molecular Formula C21H20ClN3O3S2
Exact Mass 461.063462 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID F4lNAUu0Z7n
Name N-(4-Chlorobenzyl)-4-methyl-N-{2-oxo-2-[(2E)-2-(2-thienylmethylene)hydrazino]ethyl}benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 461.063461561 u
Formula C21H20ClN3O3S2
InChI InChI=1S/C21H20ClN3O3S2/c1-16-4-10-20(11-5-16)30(27,28)25(14-17-6-8-18(22)9-7-17)15-21(26)24-23-13-19-3-2-12-29-19/h2-13H,14-15H2,1H3,(H,24,26)/b23-13+
InChIKey YDSYTKARDWSKRX-YDZHTSKRSA-N
Molecular Weight 461.982 g/mol
SMILES N(C(CN(CC1=CC=C(C=C1)Cl)S(=O)(=O)C=1C=CC(=CC1)C)=O)\N=C\C1=CC=CS1