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3-[(3-chlorophenoxy)methyl]-N-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)benzamide

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3-[(3-chlorophenoxy)methyl]-N-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
SpectraBase Compound ID 3F0H4293zBt
InChI InChI=1S/C25H21ClN4O5S/c1-34-24-14-23(27-16-28-24)30-36(32,33)22-10-8-20(9-11-22)29-25(31)18-5-2-4-17(12-18)15-35-21-7-3-6-19(26)13-21/h2-14,16H,15H2,1H3,(H,29,31)(H,27,28,30)
InChIKey LQCOHJPRTYQBMP-UHFFFAOYSA-N
Mol Weight 524.98 g/mol
Molecular Formula C25H21ClN4O5S
Exact Mass 524.092119 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID LijhHty4Eru
Name 3-[(3-Chlorophenoxy)methyl]-N-(4-{[(6-methoxy-4-pyrimidinyl)amino]sulfonyl}phenyl)benzamide
Comments Computed using HOSE algorithm
Copyright Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved.
Exact Mass 524.092118661 u
Formula C25H21ClN4O5S
InChI InChI=1S/C25H21ClN4O5S/c1-34-24-14-23(27-16-28-24)30-36(32,33)22-10-8-20(9-11-22)29-25(31)18-5-2-4-17(12-18)15-35-21-7-3-6-19(26)13-21/h2-14,16H,15H2,1H3,(H,29,31)(H,27,28,30)
InChIKey LQCOHJPRTYQBMP-UHFFFAOYSA-N
Molecular Weight 524.979 g/mol
SMILES N(C1=CC=C(S(NC=2N=CN=C(C2)OC)(=O)=O)C=C1)C(C1=CC(COC2=CC(Cl)=CC=C2)=CC=C1)=O