8,8-dimethoxy-3-(phenylmethyl)-5-(phenylsulfonyl)-3-azabicyclo[2.2.2]oct-5-en-2-one

Systemtic Name: 8,8-dimethoxy-3-(phenylmethyl)-5-(phenylsulfonyl)-3-azabicyclo[2.2.2]oct-5-en-2-one Openeye Name: 5-(benzenesulfonyl)-3-benzyl-8,8-dimethoxy-3-azabicyclo[2.2.2]oct-5-en-2-one CAS Name: 5-(benzenesulfonyl)-8,8-dimethoxy-3-(phenylmethyl)-3-azabicyclo[2.2.2]oct-5-en-2-one IUPAC Name: 5-(benzenesulfonyl)-3-benzyl-8,8-dimethoxy-3-azabicyclo[2.2.2]oct-5-en-2-one Traditional Name: 3-benzyl-5-besyl-8,8-dimethoxy-3-azabicyclo[2.2.2]oct-5-en-2-one Formula: C22H23NO5S MolecularWeight: 413.48672

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Descriptors Computed from Structure

Canonical SMILES:

COC1(CC2C=C(C1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC

Isomeric SMILES

COC1(CC2C=C(C1N(C2=O)CC3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)OC

InChI

InChI=1S/C22H23NO5S/c1-27-22(28-2)14-17-13-19(29(25,26)18-11-7-4-8-12-18)20(22)23(21(17)24)15-16-9-5-3-6-10-16/h3-13,17,20H,14-15H2,1-2H3