[3-acetyloxy-5-[5-bromanyl-4-(3,5-dimethylphenyl)sulfonyloxy-2-oxidanylidene-pyridin-1-yl]oxolan-2-yl]methyl ethanoate

Systemtic Name: [3-acetyloxy-5-[5-bromanyl-4-(3,5-dimethylphenyl)sulfonyloxy-2-oxidanylidene-pyridin-1-yl]oxolan-2-yl]methyl ethanoate Openeye Name: [3-acetoxy-5-[5-bromo-4-(3,5-dimethylphenyl)sulfonyloxy-2-oxo-1-pyridyl]tetrahydrofuran-2-yl]methyl acetate CAS Name: acetic acid [3-acetyloxy-5-[5-bromo-4-(3,5-dimethylphenyl)sulfonyloxy-2-oxo-1-pyridinyl]-2-oxolanyl]methyl ester IUPAC Name: [3-acetyloxy-5-[5-bromo-4-(3,5-dimethylphenyl)sulfonyloxy-2-oxopyridin-1-yl]oxolan-2-yl]methyl acetate Traditional Name: acetic acid [3-acetoxy-5-[5-bromo-4-(3,5-dimethylphenyl)sulfonyloxy-2-keto-1-pyridyl]tetrahydrofuran-2-yl]methyl ester Formula: C22H24BrNO9S MolecularWeight: 558.39626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=O)N(C=C2Br)C3CC(C(O3)COC(=O)C)OC(=O)C)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)OC2=CC(=O)N(C=C2Br)C3CC(C(O3)COC(=O)C)OC(=O)C)C

InChI

InChI=1S/C22H24BrNO9S/c1-12-5-13(2)7-16(6-12)34(28,29)33-18-8-21(27)24(10-17(18)23)22-9-19(31-15(4)26)20(32-22)11-30-14(3)25/h5-8,10,19-20,22H,9,11H2,1-4H3