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

Systemtic Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]butane-1,4-disulfonamide Openeye Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]butane-1,4-disulfonamide CAS Name: N,N'-bis[4-(9-acridinylamino)-3-methoxyphenyl]butane-1,4-disulfonamide IUPAC Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]butane-1,4-disulfonamide Traditional Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]butane-1,4-disulfonamide Formula: C44H40N6O6S2 MolecularWeight: 812.955

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)CCCCS(=O)(=O)NC2=CC(=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)OC)NC6=C7C=CC=CC7=NC8=CC=CC=C86

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)CCCCS(=O)(=O)NC2=CC(=C(C=C2)NC3=C4C=CC=CC4=NC5=CC=CC=C53)OC)NC6=C7C=CC=CC7=NC8=CC=CC=C86

InChI

InChI=1S/C44H40N6O6S2/c1-55-41-27-29(21-23-39(41)47-43-31-13-3-7-17-35(31)45-36-18-8-4-14-32(36)43)49-57(51,52)25-11-12-26-58(53,54)50-30-22-24-40(42(28-30)56-2)48-44-33-15-5-9-19-37(33)46-38-20-10-6-16-34(38)44/h3-10,13-24,27-28,49-50H,11-12,25-26H2,1-2H3,(H,45,47)(H,46,48)