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

Systemtic Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]propane-1,3-disulfonamide Openeye Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]propane-1,3-disulfonamide CAS Name: N,N'-bis[4-(9-acridinylamino)-3-methoxyphenyl]propane-1,3-disulfonamide IUPAC Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]propane-1,3-disulfonamide Traditional Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]propane-1,3-disulfonamide Formula: C43H38N6O6S2 MolecularWeight: 798.92842

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)CCCS(=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)CCCS(=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/C43H38N6O6S2/c1-54-40-26-28(20-22-38(40)46-42-30-12-3-7-16-34(30)44-35-17-8-4-13-31(35)42)48-56(50,51)24-11-25-57(52,53)49-29-21-23-39(41(27-29)55-2)47-43-32-14-5-9-18-36(32)45-37-19-10-6-15-33(37)43/h3-10,12-23,26-27,48-49H,11,24-25H2,1-2H3,(H,44,46)(H,45,47)