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5-[(4-fluorophenoxy)methyl]-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-2-furamide

View entire compound with spectra: 2 NMR

5-[(4-fluorophenoxy)methyl]-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-2-furamide
SpectraBase Compound ID 2neZiH1hKVS
InChI InChI=1S/C22H18FN3O6S/c1-14-12-21(25-32-14)26-33(28,29)19-9-4-16(5-10-19)24-22(27)20-11-8-18(31-20)13-30-17-6-2-15(23)3-7-17/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey HHGHTDYDAUGZKF-UHFFFAOYSA-N
Mol Weight 471.46 g/mol
Molecular Formula C22H18FN3O6S
Exact Mass 471.090035 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID J1Xtz6FULkP
Name 5-[(4-Fluorophenoxy)methyl]-N-(4-{[(5-methyl-3-isoxazolyl)amino]sulfonyl}phenyl)-2-furamide
Comments Computed using HOSE algorithm
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Exact Mass 471.090034643 u
Formula C22H18FN3O6S
InChI InChI=1S/C22H18FN3O6S/c1-14-12-21(25-32-14)26-33(28,29)19-9-4-16(5-10-19)24-22(27)20-11-8-18(31-20)13-30-17-6-2-15(23)3-7-17/h2-12H,13H2,1H3,(H,24,27)(H,25,26)
InChIKey HHGHTDYDAUGZKF-UHFFFAOYSA-N
Molecular Weight 471.459 g/mol
SMILES N(C1=CC=C(S(NC2=NOC(=C2)C)(=O)=O)C=C1)C(C=1OC(COC=2C=CC(=CC2)F)=CC1)=O