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4-chloro-N-cyclohexyl-N-{2-oxo-2-[(2E)-2-(2-pyridinylmethylene)hydrazino]ethyl}benzenesulfonamide
SpectraBase Compound ID Dc9yWXHZ5Oj
InChI InChI=1S/C20H23ClN4O3S/c21-16-9-11-19(12-10-16)29(27,28)25(18-7-2-1-3-8-18)15-20(26)24-23-14-17-6-4-5-13-22-17/h4-6,9-14,18H,1-3,7-8,15H2,(H,24,26)/b23-14+
InChIKey CLXYSVQNMBOSIT-OEAKJJBVSA-N
Mol Weight 434.94 g/mol
Molecular Formula C20H23ClN4O3S
Exact Mass 434.117939 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID FQ9EIlBCMl9
Name 4-Chloro-N-cyclohexyl-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 434.117939488 u
Formula C20H23ClN4O3S
InChI InChI=1S/C20H23ClN4O3S/c21-16-9-11-19(12-10-16)29(27,28)25(18-7-2-1-3-8-18)15-20(26)24-23-14-17-6-4-5-13-22-17/h4-6,9-14,18H,1-3,7-8,15H2,(H,24,26)/b23-14+
InChIKey CLXYSVQNMBOSIT-OEAKJJBVSA-N
Molecular Weight 434.942 g/mol
SMILES N(C(CN(C1CCCCC1)S(=O)(=O)C=1C=CC(=CC1)Cl)=O)\N=C\C1=CC=CC=N1