2-(4-methylsulfonylphenyl)-3-(1-oxidanidylpyridin-1-ium-3-yl)chromen-4-one

Systemtic Name: 2-(4-methylsulfonylphenyl)-3-(1-oxidanidylpyridin-1-ium-3-yl)chromen-4-one Openeye Name: 2-(4-methylsulfonylphenyl)-3-(1-oxidopyridin-1-ium-3-yl)chromen-4-one CAS Name: 2-(4-methylsulfonylphenyl)-3-(1-oxido-3-pyridin-1-iumyl)-1-benzopyran-4-one IUPAC Name: 2-(4-methylsulfonylphenyl)-3-(1-oxidopyridin-1-ium-3-yl)chromen-4-one Traditional Name: 2-(4-mesylphenyl)-3-(1-oxidopyridin-1-ium-3-yl)chromone Formula: C21H15NO5S MolecularWeight: 393.4125

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C4=C[N+](=CC=C4)[O-]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=C(C(=O)C3=CC=CC=C3O2)C4=C[N+](=CC=C4)[O-]

InChI

InChI=1S/C21H15NO5S/c1-28(25,26)16-10-8-14(9-11-16)21-19(15-5-4-12-22(24)13-15)20(23)17-6-2-3-7-18(17)27-21/h2-13H,1H3