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N-{4-[(acetylamino)sulfonyl]phenyl}-2-(4-ethoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 19cUgGvWhPC
InChI InChI=1S/C26H23N3O5S/c1-3-34-20-12-8-18(9-13-20)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-19-10-14-21(15-11-19)35(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)
InChIKey CIXFCEPFGWODEZ-UHFFFAOYSA-N
Mol Weight 489.55 g/mol
Molecular Formula C26H23N3O5S
Exact Mass 489.135842 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 4E8jEbAxRtM
Name N-{4-[(Acetylamino)sulfonyl]phenyl}-2-(4-ethoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 489.135842022 u
Formula C26H23N3O5S
InChI InChI=1S/C26H23N3O5S/c1-3-34-20-12-8-18(9-13-20)25-16-23(22-6-4-5-7-24(22)28-25)26(31)27-19-10-14-21(15-11-19)35(32,33)29-17(2)30/h4-16H,3H2,1-2H3,(H,27,31)(H,29,30)
InChIKey CIXFCEPFGWODEZ-UHFFFAOYSA-N
Molecular Weight 489.546 g/mol
SMILES N(C(C=1C=C(C2=CC=C(C=C2)OCC)N=C2C1C=CC=C2)=O)C1=CC=C(S(NC(=O)C)(=O)=O)C=C1