bis(phenylsulfonyl) N,N'-bis(8-bicyclo[2.2.2]octa-1,3,5-trienyl)-2-(4-dimethylaminophenyl)propanediimidate

Systemtic Name: bis(phenylsulfonyl) N,N'-bis(8-bicyclo[2.2.2]octa-1,3,5-trienyl)-2-(4-dimethylaminophenyl)propanediimidate Openeye Name: bis(benzenesulfonyl) N,N'-bis(8-bicyclo[2.2.2]octa-1,3,5-trienyl)-2-(4-dimethylaminophenyl)propanediimidate CAS Name: N,N'-bis(8-bicyclo[2.2.2]octa-1,3,5-trienyl)-2-(4-dimethylaminophenyl)propanediimidic acid bis(benzenesulfonyl) ester IUPAC Name: bis(benzenesulfonyl) N,N'-bis(8-bicyclo[2.2.2]octa-1,3,5-trienyl)-2-(4-dimethylaminophenyl)propanediimidate Traditional Name: N,N'-bis(8-bicyclo[2.2.2]octa-1,3,5-trienyl)-2-(4-dimethylaminophenyl)propanediimidic acid dibesyl ester Formula: C39H35N3O6S2 MolecularWeight: 705.8417

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=CC=C(C=C1)C(C(=NC2CC3=CC=C2C=C3)OS(=O)(=O)C4=CC=CC=C4)C(=NC5CC6=CC=C5C=C6)OS(=O)(=O)C7=CC=CC=C7

Isomeric SMILES

CN(C)C1=CC=C(C=C1)C(C(=NC2CC3=CC=C2C=C3)OS(=O)(=O)C4=CC=CC=C4)C(=NC5CC6=CC=C5C=C6)OS(=O)(=O)C7=CC=CC=C7

InChI

InChI=1S/C39H35N3O6S2/c1-42(2)32-23-21-31(22-24-32)37(38(40-35-25-27-13-17-29(35)18-14-27)47-49(43,44)33-9-5-3-6-10-33)39(41-36-26-28-15-19-30(36)20-16-28)48-50(45,46)34-11-7-4-8-12-34/h3-24,35-37H,25-26H2,1-2H3