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

Systemtic Name: 3,7-bis-(4-methylphenyl)sulfonyl-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one Openeye Name: 1,5-dipropyl-3,7-bis(p-tolylsulfonyl)-3,7-diazabicyclo[3.3.1]nonan-9-one CAS Name: 3,7-bis-(4-methylphenyl)sulfonyl-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one IUPAC Name: 3,7-bis-(4-methylphenyl)sulfonyl-1,5-dipropyl-3,7-diazabicyclo[3.3.1]nonan-9-one Traditional Name: 1,5-dipropyl-3,7-ditosyl-3,7-diazabicyclo[3.3.1]nonan-9-one Formula: C27H36N2O5S2 MolecularWeight: 532.71514

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC12CN(CC(C1=O)(CN(C2)S(=O)(=O)C3=CC=C(C=C3)C)CCC)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)CCC)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H36N2O5S2/c1-5-15-26-17-28(35(31,32)23-11-7-21(3)8-12-23)19-27(16-6-2,25(26)30)20-29(18-26)36(33,34)24-13-9-22(4)10-14-24/h7-14H,5-6,15-20H2,1-4H3