methyl (3S,4R)-8-methylsulfonyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate

Systemtic Name: methyl (3S,4R)-8-methylsulfonyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4R)-3-benzoyloxy-8-methylsulfonyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-benzoyloxy-8-methylsulfonyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-3-benzoyloxy-8-methylsulfonyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-benzoyloxy-8-mesyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H21NO6S MolecularWeight: 367.41674

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1C2CCC(N2S(=O)(=O)C)CC1OC(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)[C@H]1[C@H](CC2CCC1N2S(=O)(=O)C)OC(=O)C3=CC=CC=C3

InChI

InChI=1S/C17H21NO6S/c1-23-17(20)15-13-9-8-12(18(13)25(2,21)22)10-14(15)24-16(19)11-6-4-3-5-7-11/h3-7,12-15H,8-10H2,1-2H3/t12?,13?,14-,15+/m0/s1