methyl 6-cyano-7-methyl-6-(phenylsulfonyl)octanoate

Systemtic Name: methyl 6-cyano-7-methyl-6-(phenylsulfonyl)octanoate Openeye Name: methyl 6-(benzenesulfonyl)-6-cyano-7-methyl-octanoate CAS Name: 6-(benzenesulfonyl)-6-cyano-7-methyloctanoic acid methyl ester IUPAC Name: methyl 6-(benzenesulfonyl)-6-cyano-7-methyloctanoate Traditional Name: 6-besyl-6-cyano-7-methyl-caprylic acid methyl ester Formula: C17H23NO4S MolecularWeight: 337.43382

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(CCCCC(=O)OC)(C#N)S(=O)(=O)C1=CC=CC=C1

Isomeric SMILES

CC(C)C(CCCCC(=O)OC)(C#N)S(=O)(=O)C1=CC=CC=C1

InChI

InChI=1S/C17H23NO4S/c1-14(2)17(13-18,12-8-7-11-16(19)22-3)23(20,21)15-9-5-4-6-10-15/h4-6,9-10,14H,7-8,11-12H2,1-3H3