ethyl (1R,5S)-3-(4-methylphenyl)sulfonyl-9-oxidanylidene-3-azabicyclo[3.3.1]nonane-7-carboxylate

Systemtic Name: ethyl (1R,5S)-3-(4-methylphenyl)sulfonyl-9-oxidanylidene-3-azabicyclo[3.3.1]nonane-7-carboxylate Openeye Name: ethyl (1R,5S)-9-oxo-3-(p-tolylsulfonyl)-3-azabicyclo[3.3.1]nonane-7-carboxylate CAS Name: (1R,5S)-3-(4-methylphenyl)sulfonyl-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester IUPAC Name: ethyl (1R,5S)-3-(4-methylphenyl)sulfonyl-9-oxo-3-azabicyclo[3.3.1]nonane-7-carboxylate Traditional Name: (1R,5S)-9-keto-3-tosyl-3-azabicyclo[3.3.1]nonane-7-carboxylic acid ethyl ester Formula: C18H23NO5S MolecularWeight: 365.44392

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CC2CN(CC(C1)C2=O)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1C[C@@H]2CN(C[C@H](C1)C2=O)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H23NO5S/c1-3-24-18(21)13-8-14-10-19(11-15(9-13)17(14)20)25(22,23)16-6-4-12(2)5-7-16/h4-7,13-15H,3,8-11H2,1-2H3/t13?,14-,15+