methyl 6-(4-cyanophenyl)-2-(2-oxidanylideneoxan-4-yl)-2-(phenylsulfonyl)hexanoate

Systemtic Name: methyl 6-(4-cyanophenyl)-2-(2-oxidanylideneoxan-4-yl)-2-(phenylsulfonyl)hexanoate Openeye Name: methyl 2-(benzenesulfonyl)-6-(4-cyanophenyl)-2-(2-oxotetrahydropyran-4-yl)hexanoate CAS Name: 2-(benzenesulfonyl)-6-(4-cyanophenyl)-2-(2-oxo-4-oxanyl)hexanoic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-6-(4-cyanophenyl)-2-(2-oxooxan-4-yl)hexanoate Traditional Name: 2-besyl-6-(4-cyanophenyl)-2-(2-ketotetrahydropyran-4-yl)hexanoic acid methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(CCCCC1=CC=C(C=C1)C#N)(C2CCOC(=O)C2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(CCCCC1=CC=C(C=C1)C#N)(C2CCOC(=O)C2)S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C25H27NO6S/c1-31-24(28)25(21-14-16-32-23(27)17-21,33(29,30)22-8-3-2-4-9-22)15-6-5-7-19-10-12-20(18-26)13-11-19/h2-4,8-13,21H,5-7,14-17H2,1H3