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3-[(4-chlorophenoxy)methyl]-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide

View entire compound with spectra: 2 NMR

3-[(4-chlorophenoxy)methyl]-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide
SpectraBase Compound ID LQTtb14xSk3
InChI InChI=1S/C24H20ClN3O5S/c1-16-13-23(27-33-16)28-34(30,31)22-11-7-20(8-12-22)26-24(29)18-4-2-3-17(14-18)15-32-21-9-5-19(25)6-10-21/h2-14H,15H2,1H3,(H,26,29)(H,27,28)
InChIKey LRQAVQKNGRCARC-UHFFFAOYSA-N
Mol Weight 497.95 g/mol
Molecular Formula C24H20ClN3O5S
Exact Mass 497.08122 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 9O0oe7Wp6XR
Name 3-[(4-Chlorophenoxy)methyl]-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)benzamide
Comments Computed using HOSE algorithm
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Exact Mass 497.081219625 u
Formula C24H20ClN3O5S
InChI InChI=1S/C24H20ClN3O5S/c1-16-13-23(27-33-16)28-34(30,31)22-11-7-20(8-12-22)26-24(29)18-4-2-3-17(14-18)15-32-21-9-5-19(25)6-10-21/h2-14H,15H2,1H3,(H,26,29)(H,27,28)
InChIKey LRQAVQKNGRCARC-UHFFFAOYSA-N
Molecular Weight 497.953 g/mol
SMILES N(C1=CC=C(S(NC2=NOC(=C2)C)(=O)=O)C=C1)C(C=1C=C(COC=2C=CC(=CC2)Cl)C=CC1)=O