[4-[1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-oxidanylidene-pyridin-4-yl]-4-methylsulfonyloxy-butyl] methanesulfonate

Systemtic Name: [4-[1-(6-cyano-2,2-dimethyl-3-oxidanyl-3,4-dihydrochromen-4-yl)-2-oxidanylidene-pyridin-4-yl]-4-methylsulfonyloxy-butyl] methanesulfonate Openeye Name: [4-[1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-oxo-4-pyridyl]-4-methylsulfonyloxy-butyl] methanesulfonate CAS Name: methanesulfonic acid [4-[1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydro-2H-1-benzopyran-4-yl)-2-oxo-4-pyridinyl]-4-methylsulfonyloxybutyl] ester IUPAC Name: [4-[1-(6-cyano-3-hydroxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)-2-oxopyridin-4-yl]-4-methylsulfonyloxybutyl] methanesulfonate Traditional Name: methanesulfonic acid [4-[1-(6-cyano-3-hydroxy-2,2-dimethyl-chroman-4-yl)-2-keto-4-pyridyl]-4-methylsulfonyloxy-butyl] ester Formula: C23H28N2O9S2 MolecularWeight: 540.60642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N2O9S2/c1-23(2)22(27)21(17-12-15(14-24)7-8-19(17)33-23)25-10-9-16(13-20(25)26)18(34-36(4,30)31)6-5-11-32-35(3,28)29/h7-10,12-13,18,21-22,27H,5-6,11H2,1-4H3