[3-(3-cyclopentyl-3-oxidanyl-2-oxidanylidene-3-phenyl-propyl)-3-azabicyclo[3.2.1]octan-8-yl] methanesulfonate

Systemtic Name: [3-(3-cyclopentyl-3-oxidanyl-2-oxidanylidene-3-phenyl-propyl)-3-azabicyclo[3.2.1]octan-8-yl] methanesulfonate Openeye Name: [3-(3-cyclopentyl-3-hydroxy-2-oxo-3-phenyl-propyl)-3-azabicyclo[3.2.1]octan-8-yl] methanesulfonate CAS Name: methanesulfonic acid [3-(3-cyclopentyl-3-hydroxy-2-oxo-3-phenylpropyl)-3-azabicyclo[3.2.1]octan-8-yl] ester IUPAC Name: [3-(3-cyclopentyl-3-hydroxy-2-oxo-3-phenylpropyl)-3-azabicyclo[3.2.1]octan-8-yl] methanesulfonate Traditional Name: methanesulfonic acid [3-(3-cyclopentyl-3-hydroxy-2-keto-3-phenyl-propyl)-3-azabicyclo[3.2.1]octan-8-yl] ester Formula: C22H31NO5S MolecularWeight: 421.55024

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)OC1C2CCC1CN(C2)CC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

Isomeric SMILES

CS(=O)(=O)OC1C2CCC1CN(C2)CC(=O)C(C3CCCC3)(C4=CC=CC=C4)O

InChI

InChI=1S/C22H31NO5S/c1-29(26,27)28-21-16-11-12-17(21)14-23(13-16)15-20(24)22(25,19-9-5-6-10-19)18-7-3-2-4-8-18/h2-4,7-8,16-17,19,21,25H,5-6,9-15H2,1H3