bis[2,6-bis(bromanyl)-4-[2-(dihexylamino)ethyl-methyl-sulfamoyl]phenyl] ethanedioate

Systemtic Name: bis[2,6-bis(bromanyl)-4-[2-(dihexylamino)ethyl-methyl-sulfamoyl]phenyl] ethanedioate Openeye Name: bis[2,6-dibromo-4-[2-(dihexylamino)ethyl-methyl-sulfamoyl]phenyl] oxalate CAS Name: oxalic acid bis[2,6-dibromo-4-[2-(dihexylamino)ethyl-methylsulfamoyl]phenyl] ester IUPAC Name: bis[2,6-dibromo-4-[2-(dihexylamino)ethyl-methylsulfamoyl]phenyl] oxalate Traditional Name: oxalic acid bis[2,6-dibromo-4-[2-(dihexylamino)ethyl-methyl-sulfamoyl]phenyl] ester Formula: C44H70Br4N4O8S2 MolecularWeight: 1166.7946

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(CCCCCC)CCN(C)S(=O)(=O)C1=CC(=C(C(=C1)Br)OC(=O)C(=O)OC2=C(C=C(C=C2Br)S(=O)(=O)N(C)CCN(CCCCCC)CCCCCC)Br)Br

Isomeric SMILES

CCCCCCN(CCCCCC)CCN(C)S(=O)(=O)C1=CC(=C(C(=C1)Br)OC(=O)C(=O)OC2=C(C=C(C=C2Br)S(=O)(=O)N(C)CCN(CCCCCC)CCCCCC)Br)Br

InChI

InChI=1S/C44H70Br4N4O8S2/c1-7-11-15-19-23-51(24-20-16-12-8-2)29-27-49(5)61(55,56)35-31-37(45)41(38(46)32-35)59-43(53)44(54)60-42-39(47)33-36(34-40(42)48)62(57,58)50(6)28-30-52(25-21-17-13-9-3)26-22-18-14-10-4/h31-34H,7-30H2,1-6H3