5-nitro-3,7-bis(phenylsulfonyl)-1,3,7-triazabicyclo[3.3.1]nonane

Systemtic Name: 5-nitro-3,7-bis(phenylsulfonyl)-1,3,7-triazabicyclo[3.3.1]nonane Openeye Name: 3,7-bis(benzenesulfonyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane CAS Name: 3,7-bis(benzenesulfonyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane IUPAC Name: 3,7-bis(benzenesulfonyl)-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane Traditional Name: 3,7-dibesyl-5-nitro-1,3,7-triazabicyclo[3.3.1]nonane Formula: C18H20N4O6S2 MolecularWeight: 452.5046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C2(CN(CN1CN(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1C2(CN(CN1CN(C2)S(=O)(=O)C3=CC=CC=C3)S(=O)(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H20N4O6S2/c23-22(24)18-11-19(14-20(12-18)29(25,26)16-7-3-1-4-8-16)15-21(13-18)30(27,28)17-9-5-2-6-10-17/h1-10H,11-15H2