8,8-dimethyl-5-(4-phenylmethoxyphenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.2]octan-3-one

Systemtic Name: 8,8-dimethyl-5-(4-phenylmethoxyphenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.2]octan-3-one Openeye Name: 5-(4-benzyloxyphenyl)sulfonyl-8,8-dimethyl-2-oxa-5-azabicyclo[2.2.2]octan-3-one CAS Name: 8,8-dimethyl-5-(4-phenylmethoxyphenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.2]octan-3-one IUPAC Name: 8,8-dimethyl-5-(4-phenylmethoxyphenyl)sulfonyl-2-oxa-5-azabicyclo[2.2.2]octan-3-one Traditional Name: 5-(4-benzoxyphenyl)sulfonyl-8,8-dimethyl-2-oxa-5-azabicyclo[2.2.2]octan-3-one Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2CN(C1C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

Isomeric SMILES

CC1(CC2CN(C1C(=O)O2)S(=O)(=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C

InChI

InChI=1S/C21H23NO5S/c1-21(2)12-17-13-22(19(21)20(23)27-17)28(24,25)18-10-8-16(9-11-18)26-14-15-6-4-3-5-7-15/h3-11,17,19H,12-14H2,1-2H3