2AY

N-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide


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Chemical Component Summary

NameN-{3-[3-tert-butyl-2-methoxy-5-(2-oxo-1,2-dihydropyridin-3-yl)phenyl]-1-oxo-1H-isochromen-7-yl}methanesulfonamide
IdentifiersN-[3-[3-tert-butyl-2-methoxy-5-(2-oxidanylidene-1H-pyridin-3-yl)phenyl]-1-oxidanylidene-isochromen-7-yl]methanesulfonamide
FormulaC26 H26 N2 O6 S
Molecular Weight494.559
TypeNON-POLYMER
Isomeric SMILESCC(C)(C)c1cc(cc(c1OC)C2=Cc3ccc(cc3C(=O)O2)NS(=O)(=O)C)C4=CC=CNC4=O
InChIInChI=1S/C26H26N2O6S/c1-26(2,3)21-12-16(18-7-6-10-27-24(18)29)11-20(23(21)33-4)22-13-15-8-9-17(28-35(5,31)32)14-19(15)25(30)34-22/h6-14,28H,1-5H3,(H,27,29)
InChIKeyKFKYTAVFBQWLAZ-UHFFFAOYSA-N

Chemical Details

Formal Charge0
Atom Count61
Chiral Atom Count0
Bond Count64
Aromatic Bond Count12

Related Resource References

Resource NameReference
PubChem 49822093
ChEMBL CHEMBL2431465