N,N'-bis[4-(acridin-9-ylamino)phenyl]propane-1,3-disulfonamide dihydrochloride

Systemtic Name: N,N'-bis[4-(acridin-9-ylamino)phenyl]propane-1,3-disulfonamide dihydrochloride Openeye Name: N,N'-bis[4-(acridin-9-ylamino)phenyl]propane-1,3-disulfonamide dihydrochloride CAS Name: N,N'-bis[4-(9-acridinylamino)phenyl]propane-1,3-disulfonamide dihydrochloride IUPAC Name: N,N'-bis[4-(acridin-9-ylamino)phenyl]propane-1,3-disulfonamide dihydrochloride Traditional Name: N,N'-bis[4-(acridin-9-ylamino)phenyl]propane-1,3-disulfonamide dihydrochloride Formula: C41H36Cl2N6O4S2 MolecularWeight: 811.79834

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NS(=O)(=O)CCCS(=O)(=O)NC5=CC=C(C=C5)NC6=C7C=CC=CC7=NC8=CC=CC=C86.Cl.Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=N2)NC4=CC=C(C=C4)NS(=O)(=O)CCCS(=O)(=O)NC5=CC=C(C=C5)NC6=C7C=CC=CC7=NC8=CC=CC=C86.Cl.Cl

InChI

InChI=1S/C41H34N6O4S2.2ClH/c48-52(49,46-30-22-18-28(19-23-30)42-40-32-10-1-5-14-36(32)44-37-15-6-2-11-33(37)40)26-9-27-53(50,51)47-31-24-20-29(21-25-31)43-41-34-12-3-7-16-38(34)45-39-17-8-4-13-35(39)41;;/h1-8,10-25,46-47H,9,26-27H2,(H,42,44)(H,43,45);2*1H