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

Systemtic Name: methyl (3S,4R)-8-isocyanatosulfonyl-3-(phenylcarbonyloxy)-8-azabicyclo[3.2.1]octane-4-carboxylate Openeye Name: methyl (3S,4R)-3-benzoyloxy-8-isocyanatosulfonyl-8-azabicyclo[3.2.1]octane-4-carboxylate CAS Name: (3S,4R)-3-benzoyloxy-8-isocyanatosulfonyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester IUPAC Name: methyl (3S,4R)-3-benzoyloxy-8-isocyanatosulfonyl-8-azabicyclo[3.2.1]octane-4-carboxylate Traditional Name: (3S,4R)-3-benzoyloxy-8-isocyanatosulfonyl-8-azabicyclo[3.2.1]octane-4-carboxylic acid methyl ester Formula: C17H18N2O7S MolecularWeight: 394.39902

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18N2O7S/c1-25-17(22)15-13-8-7-12(19(13)27(23,24)18-10-20)9-14(15)26-16(21)11-5-3-2-4-6-11/h2-6,12-15H,7-9H2,1H3/t12?,13?,14-,15+/m0/s1