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

Systemtic Name: 5-ethyl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one Openeye Name: 5-ethyl-1-methyl-3,7-bis(p-tolylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one CAS Name: 5-ethyl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one IUPAC Name: 5-ethyl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one Traditional Name: 5-ethyl-1-methyl-3,7-ditosyl-3,7-diazabicyclo[3.3.1]nonan-9-one Formula: C24H30N2O5S2 MolecularWeight: 490.6354

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Descriptors Computed from Structure

Canonical SMILES:

CCC12CN(CC(C1=O)(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCC12CN(CC(C1=O)(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)C)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C24H30N2O5S2/c1-5-24-16-25(32(28,29)20-10-6-18(2)7-11-20)14-23(4,22(24)27)15-26(17-24)33(30,31)21-12-8-19(3)9-13-21/h6-13H,5,14-17H2,1-4H3