(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenyl-3-sulfooxy-propanoate

Systemtic Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenyl-3-sulfooxy-propanoate Openeye Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenyl-3-sulfooxy-propanoate CAS Name: 3-phenyl-3-sulfooxypropanoic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester IUPAC Name: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 3-phenyl-3-sulfooxypropanoate Traditional Name: 3-phenyl-3-sulfoxy-propionic acid (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) ester Formula: C17H23NO6S MolecularWeight: 369.43262

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2CCC1CC(C2)OC(=O)CC(C3=CC=CC=C3)OS(=O)(=O)O

Isomeric SMILES

CN1C2CCC1CC(C2)OC(=O)CC(C3=CC=CC=C3)OS(=O)(=O)O

InChI

InChI=1S/C17H23NO6S/c1-18-13-7-8-14(18)10-15(9-13)23-17(19)11-16(24-25(20,21)22)12-5-3-2-4-6-12/h2-6,13-16H,7-11H2,1H3,(H,20,21,22)