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N-[4-(aminosulfonyl)phenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide
SpectraBase Compound ID 19fETruFo4e
InChI InChI=1S/C24H21N3O4S/c1-2-31-18-7-5-6-16(14-18)23-15-21(20-8-3-4-9-22(20)27-23)24(28)26-17-10-12-19(13-11-17)32(25,29)30/h3-15H,2H2,1H3,(H,26,28)(H2,25,29,30)
InChIKey JOOBOFAVKDCRNJ-UHFFFAOYSA-N
Mol Weight 447.51 g/mol
Molecular Formula C24H21N3O4S
Exact Mass 447.125277 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 6kDLJQEhmMJ
Name N-[4-(Aminosulfonyl)phenyl]-2-(3-ethoxyphenyl)-4-quinolinecarboxamide
Comments Computed using HOSE algorithm
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Exact Mass 447.125277338 u
Formula C24H21N3O4S
InChI InChI=1S/C24H21N3O4S/c1-2-31-18-7-5-6-16(14-18)23-15-21(20-8-3-4-9-22(20)27-23)24(28)26-17-10-12-19(13-11-17)32(25,29)30/h3-15H,2H2,1H3,(H,26,28)(H2,25,29,30)
InChIKey JOOBOFAVKDCRNJ-UHFFFAOYSA-N
Molecular Weight 447.509 g/mol
SMILES N(C=1C=CC(S(=O)(=O)N)=CC1)C(C1=CC(C2=CC(OCC)=CC=C2)=NC=2C1=CC=CC2)=O