methyl 2-[2-[4-(4-cyanophenyl)butyl]-6-oxidanylidene-oxan-4-yl]-2-(phenylsulfonyl)ethanoate

Systemtic Name: methyl 2-[2-[4-(4-cyanophenyl)butyl]-6-oxidanylidene-oxan-4-yl]-2-(phenylsulfonyl)ethanoate Openeye Name: methyl 2-(benzenesulfonyl)-2-[2-[4-(4-cyanophenyl)butyl]-6-oxo-tetrahydropyran-4-yl]acetate CAS Name: 2-(benzenesulfonyl)-2-[2-[4-(4-cyanophenyl)butyl]-6-oxo-4-oxanyl]acetic acid methyl ester IUPAC Name: methyl 2-(benzenesulfonyl)-2-[2-[4-(4-cyanophenyl)butyl]-6-oxooxan-4-yl]acetate Traditional Name: 2-besyl-2-[2-[4-(4-cyanophenyl)butyl]-6-keto-tetrahydropyran-4-yl]acetic acid methyl ester Formula: C25H27NO6S MolecularWeight: 469.54998

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(C1CC(OC(=O)C1)CCCCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C(C1CC(OC(=O)C1)CCCCC2=CC=C(C=C2)C#N)S(=O)(=O)C3=CC=CC=C3

InChI

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