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3-chloro-N-{4-[(2-quinoxalinylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamide
SpectraBase Compound ID LQAV2OCFrA
InChI InChI=1S/C23H15ClN4O3S2/c24-21-16-5-1-4-8-19(16)32-22(21)23(29)26-14-9-11-15(12-10-14)33(30,31)28-20-13-25-17-6-2-3-7-18(17)27-20/h1-13H,(H,26,29)(H,27,28)
InChIKey AHRNPUCOGRFJDT-UHFFFAOYSA-N
Mol Weight 494.97 g/mol
Molecular Formula C23H15ClN4O3S2
Exact Mass 494.02741 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AVo5UAKk8vB
Name 3-Chloro-N-{4-[(2-quinoxalinylamino)sulfonyl]phenyl}-1-benzothiophene-2-carboxamide
Comments Computed using HOSE algorithm
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Exact Mass 494.027410404 u
Formula C23H15ClN4O3S2
InChI InChI=1S/C23H15ClN4O3S2/c24-21-16-5-1-4-8-19(16)32-22(21)23(29)26-14-9-11-15(12-10-14)33(30,31)28-20-13-25-17-6-2-3-7-18(17)27-20/h1-13H,(H,26,29)(H,27,28)
InChIKey AHRNPUCOGRFJDT-UHFFFAOYSA-N
Molecular Weight 494.971 g/mol
SMILES N(C(C=1SC=2C=CC=CC2C1Cl)=O)C1=CC=C(S(NC2=NC=3C=CC=CC3N=C2)(=O)=O)C=C1