1,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one

Systemtic Name: 1,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one Openeye Name: 1,5-dimethyl-3,7-bis(p-tolylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one CAS Name: 1,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one IUPAC Name: 1,5-dimethyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one Traditional Name: 1,5-dimethyl-3,7-ditosyl-3,7-diazabicyclo[3.3.1]nonan-9-one Formula: C23H28N2O5S2 MolecularWeight: 476.60882

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CN(CC(C2)(C3=O)C)S(=O)(=O)C4=CC=C(C=C4)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC3(CN(CC(C2)(C3=O)C)S(=O)(=O)C4=CC=C(C=C4)C)C

InChI

InChI=1S/C23H28N2O5S2/c1-17-5-9-19(10-6-17)31(27,28)24-13-22(3)15-25(16-23(4,14-24)21(22)26)32(29,30)20-11-7-18(2)8-12-20/h5-12H,13-16H2,1-4H3