methyl 2,2-dimethyl-8-methylsulfonyloxy-4-(3-pyridin-3-ylpropyl)octanoate

Systemtic Name: methyl 2,2-dimethyl-8-methylsulfonyloxy-4-(3-pyridin-3-ylpropyl)octanoate Openeye Name: methyl 2,2-dimethyl-8-methylsulfonyloxy-4-[3-(3-pyridyl)propyl]octanoate CAS Name: 2,2-dimethyl-8-methylsulfonyloxy-4-[3-(3-pyridinyl)propyl]octanoic acid methyl ester IUPAC Name: methyl 2,2-dimethyl-8-methylsulfonyloxy-4-(3-pyridin-3-ylpropyl)octanoate Traditional Name: 2,2-dimethyl-8-methylsulfonyloxy-4-[3-(3-pyridyl)propyl]caprylic acid methyl ester Formula: C20H33NO5S MolecularWeight: 399.54472

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC(CCCCOS(=O)(=O)C)CCCC1=CN=CC=C1)C(=O)OC

Isomeric SMILES

CC(C)(CC(CCCCOS(=O)(=O)C)CCCC1=CN=CC=C1)C(=O)OC

InChI

InChI=1S/C20H33NO5S/c1-20(2,19(22)25-3)15-17(9-5-6-14-26-27(4,23)24)10-7-11-18-12-8-13-21-16-18/h8,12-13,16-17H,5-7,9-11,14-15H2,1-4H3