methyl 3-(4-iodophenyl)-8-(3-methylsulfonyloxypropyl)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl 3-(4-iodophenyl)-8-(3-methylsulfonyloxypropyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl 3-(4-iodophenyl)-8-(3-methylsulfonyloxypropyl)-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: 3-(4-iodophenyl)-8-(3-methylsulfonyloxypropyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl 3-(4-iodophenyl)-8-(3-methylsulfonyloxypropyl)-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: 3-(4-iodophenyl)-8-(3-methylsulfonyloxypropyl)-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C19H26INO5S MolecularWeight: 507.38291

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2CCCOS(=O)(=O)C)CC1C3=CC=C(C=C3)I

Isomeric SMILES

COC(=O)C1C2CCC(N2CCCOS(=O)(=O)C)CC1C3=CC=C(C=C3)I

InChI

InChI=1S/C19H26INO5S/c1-25-19(22)18-16(13-4-6-14(20)7-5-13)12-15-8-9-17(18)21(15)10-3-11-26-27(2,23)24/h4-7,15-18H,3,8-12H2,1-2H3