3,7-dimethylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane

Systemtic Name: 3,7-dimethylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane Openeye Name: 3,7-dimethylene-1,5-bis(p-tolylsulfonyl)-1,5-diazocane CAS Name: 3,7-dimethylene-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane IUPAC Name: 3,7-dimethylidene-1,5-bis-(4-methylphenyl)sulfonyl-1,5-diazocane Traditional Name: 3,7-dimethylene-1,5-ditosyl-1,5-diazocane Formula: C22H26N2O4S2 MolecularWeight: 446.58284

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)CN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=C)CN(CC(=C)C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H26N2O4S2/c1-17-5-9-21(10-6-17)29(25,26)23-13-19(3)15-24(16-20(4)14-23)30(27,28)22-11-7-18(2)8-12-22/h5-12H,3-4,13-16H2,1-2H3