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

Systemtic Name: 1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one Openeye Name: 1-methyl-5-propyl-3,7-bis(p-tolylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one CAS Name: 1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one IUPAC Name: 1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-5-propyl-3,7-diazabicyclo[3.3.1]nonan-9-one Traditional Name: 1-methyl-5-propyl-3,7-ditosyl-3,7-diazabicyclo[3.3.1]nonan-9-one Formula: C25H32N2O5S2 MolecularWeight: 504.66198

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Descriptors Computed from Structure

Canonical SMILES:

CCCC12CN(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

CCCC12CN(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/C25H32N2O5S2/c1-5-14-25-17-26(33(29,30)21-10-6-19(2)7-11-21)15-24(4,23(25)28)16-27(18-25)34(31,32)22-12-8-20(3)9-13-22/h6-13H,5,14-18H2,1-4H3