N,N'-bis[4-(acridin-10-ium-9-ylamino)phenyl]butane-1,4-disulfonamide dichloride

Systemtic Name: N,N'-bis[4-(acridin-10-ium-9-ylamino)phenyl]butane-1,4-disulfonamide dichloride Openeye Name: N,N'-bis[4-(acridin-10-ium-9-ylamino)phenyl]butane-1,4-disulfonamide dichloride CAS Name: N,N'-bis[4-(9-acridin-10-iumylamino)phenyl]butane-1,4-disulfonamide dichloride IUPAC Name: N,N'-bis[4-(acridin-10-ium-9-ylamino)phenyl]butane-1,4-disulfonamide dichloride Traditional Name: N,N'-bis[4-(acridin-10-ium-9-ylamino)phenyl]butane-1,4-disulfonamide dichloride Formula: C42H38Cl2N6O4S2 MolecularWeight: 825.82492

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)NC4=CC=C(C=C4)NS(=O)(=O)CCCCS(=O)(=O)NC5=CC=C(C=C5)NC6=C7C=CC=CC7=[NH+]C8=CC=CC=C86.[Cl-].[Cl-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC=CC3=[NH+]2)NC4=CC=C(C=C4)NS(=O)(=O)CCCCS(=O)(=O)NC5=CC=C(C=C5)NC6=C7C=CC=CC7=[NH+]C8=CC=CC=C86.[Cl-].[Cl-]

InChI

InChI=1S/C42H36N6O4S2.2ClH/c49-53(50,47-31-23-19-29(20-24-31)43-41-33-11-1-5-15-37(33)45-38-16-6-2-12-34(38)41)27-9-10-28-54(51,52)48-32-25-21-30(22-26-32)44-42-35-13-3-7-17-39(35)46-40-18-8-4-14-36(40)42;;/h1-8,11-26,47-48H,9-10,27-28H2,(H,43,45)(H,44,46);2*1H