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4-methyl-N-[7-(p-tolylsulfonylamino)-2,3-bis(2-pyridyl)quinoxalin-6-yl]benzenesulfonamide
SpectraBase Compound ID 4a19TqJWQuR
InChI InChI=1S/C32H26N6O4S2/c1-21-9-13-23(14-10-21)43(39,40)37-29-19-27-28(20-30(29)38-44(41,42)24-15-11-22(2)12-16-24)36-32(26-8-4-6-18-34-26)31(35-27)25-7-3-5-17-33-25/h3-20,37-38H,1-2H3
InChIKey ISQLLKLFIKSKNS-UHFFFAOYSA-N
Mol Weight 622.7 g/mol
Molecular Formula C32H26N6O4S2
Exact Mass 622.145696 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID AXAuM5jolQQ
Name 4-Methyl-N-[7-(p-tolylsulfonylamino)-2,3-bis(2-pyridyl)quinoxalin-6-yl]benzenesulfonamide
Comments Computed using HOSE algorithm
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Exact Mass 622.145695685 u
Formula C32H26N6O4S2
InChI InChI=1S/C32H26N6O4S2/c1-21-9-13-23(14-10-21)43(39,40)37-29-19-27-28(20-30(29)38-44(41,42)24-15-11-22(2)12-16-24)36-32(26-8-4-6-18-34-26)31(35-27)25-7-3-5-17-33-25/h3-20,37-38H,1-2H3
InChIKey ISQLLKLFIKSKNS-UHFFFAOYSA-N
Molecular Weight 622.718 g/mol
SMILES C1(=NC2=CC(=C(C=C2N=C1C=1C=CC=CN1)NS(=O)(=O)C=1C=CC(C)=CC1)NS(=O)(=O)C=1C=CC(C)=CC1)C=1C=CC=CN1