[1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-5-(methylsulfonyloxymethyl)-2-oxidanylidene-pyridin-4-yl]methyl methanesulfonate

Systemtic Name: [1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-5-(methylsulfonyloxymethyl)-2-oxidanylidene-pyridin-4-yl]methyl methanesulfonate Openeye Name: [1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-5-(methylsulfonyloxymethyl)-2-oxo-4-pyridyl]methyl methanesulfonate CAS Name: methanesulfonic acid [1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-5-(methylsulfonyloxymethyl)-2-oxo-4-pyridinyl]methyl ester IUPAC Name: [1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-5-(methylsulfonyloxymethyl)-2-oxopyridin-4-yl]methyl methanesulfonate Traditional Name: methanesulfonic acid [1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-keto-5-(methylsulfonyloxymethyl)-4-pyridyl]methyl ester Formula: C21H24N2O9S2 MolecularWeight: 512.55326

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C(=CC3=O)COS(=O)(=O)C)COS(=O)(=O)C)O)C

Isomeric SMILES

CC1(C(C(C2=C(O1)C=CC(=C2)C#N)N3C=C(C(=CC3=O)COS(=O)(=O)C)COS(=O)(=O)C)O)C

InChI

InChI=1S/C21H24N2O9S2/c1-21(2)20(25)19(16-7-13(9-22)5-6-17(16)32-21)23-10-15(12-31-34(4,28)29)14(8-18(23)24)11-30-33(3,26)27/h5-8,10,19-20,25H,11-12H2,1-4H3