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N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)decanamide

View entire compound with spectra: 2 NMR

N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)decanamide
SpectraBase Compound ID Feu0rOdmO9R
InChI InChI=1S/C21H30N4O3S/c1-3-4-5-6-7-8-9-10-20(26)24-18-11-13-19(14-12-18)29(27,28)25-21-22-16-15-17(2)23-21/h11-16H,3-10H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKey FATIFDFNPJKUBQ-UHFFFAOYSA-N
Mol Weight 418.56 g/mol
Molecular Formula C21H30N4O3S
Exact Mass 418.203862 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LRXgTU96mL7
Name N-(4-{[(4-methyl-2-pyrimidinyl)amino]sulfonyl}phenyl)decanamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 418.203862013 u
Formula C21H30N4O3S
InChI InChI=1S/C21H30N4O3S/c1-3-4-5-6-7-8-9-10-20(26)24-18-11-13-19(14-12-18)29(27,28)25-21-22-16-15-17(2)23-21/h11-16H,3-10H2,1-2H3,(H,24,26)(H,22,23,25)
InChIKey FATIFDFNPJKUBQ-UHFFFAOYSA-N
Molecular Weight 418.556 g/mol
SMILES N(C(=O)CCCCCCCCC)C=1C=CC(S(NC=2N=C(C)C=CN2)(=O)=O)=CC1