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

Systemtic Name: 5-butyl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one Openeye Name: 5-butyl-1-methyl-3,7-bis(p-tolylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one CAS Name: 5-butyl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one IUPAC Name: 5-butyl-1-methyl-3,7-bis-(4-methylphenyl)sulfonyl-3,7-diazabicyclo[3.3.1]nonan-9-one Traditional Name: 5-butyl-1-methyl-3,7-ditosyl-3,7-diazabicyclo[3.3.1]nonan-9-one Formula: C26H34N2O5S2 MolecularWeight: 518.68856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC12CN(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

CCCCC12CN(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/C26H34N2O5S2/c1-5-6-15-26-18-27(34(30,31)22-11-7-20(2)8-12-22)16-25(4,24(26)29)17-28(19-26)35(32,33)23-13-9-21(3)10-14-23/h7-14H,5-6,15-19H2,1-4H3