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N-(4-chlorobenzyl)-4-methyl-N-{2-oxo-2-[(2E)-2-(2-pyridinylmethylene)hydrazino]ethyl}benzenesulfonamide

View entire compound with spectra: 2 NMR

N-(4-chlorobenzyl)-4-methyl-N-{2-oxo-2-[(2E)-2-(2-pyridinylmethylene)hydrazino]ethyl}benzenesulfonamide
SpectraBase Compound ID LW3WgQucl3h
InChI InChI=1S/C22H21ClN4O3S/c1-17-5-11-21(12-6-17)31(29,30)27(15-18-7-9-19(23)10-8-18)16-22(28)26-25-14-20-4-2-3-13-24-20/h2-14H,15-16H2,1H3,(H,26,28)/b25-14+
InChIKey CQUREORPGOGWBX-AFUMVMLFSA-N
Mol Weight 456.95 g/mol
Molecular Formula C22H21ClN4O3S
Exact Mass 456.102289 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 71tF8jYbJOh
Name N-(4-Chlorobenzyl)-4-methyl-N-{2-oxo-2-[(2E)-2-(2-pyridinylmethylene)hydrazino]ethyl}benzenesulfonamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 456.102289423 u
Formula C22H21ClN4O3S
InChI InChI=1S/C22H21ClN4O3S/c1-17-5-11-21(12-6-17)31(29,30)27(15-18-7-9-19(23)10-8-18)16-22(28)26-25-14-20-4-2-3-13-24-20/h2-14H,15-16H2,1H3,(H,26,28)/b25-14+
InChIKey CQUREORPGOGWBX-AFUMVMLFSA-N
Molecular Weight 456.948 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=CC=N1