N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1,5-disulfonamide

Systemtic Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1,5-disulfonamide Openeye Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1,5-disulfonamide CAS Name: N,N'-bis[4-(9-acridinylamino)-3-methoxyphenyl]pentane-1,5-disulfonamide IUPAC Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxyphenyl]pentane-1,5-disulfonamide Traditional Name: N,N'-bis[4-(acridin-9-ylamino)-3-methoxy-phenyl]pentane-1,5-disulfonamide Formula: C45H42N6O6S2 MolecularWeight: 826.98158

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)NS(=O)(=O)CCCCCS(=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)CCCCCS(=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/C45H42N6O6S2/c1-56-42-28-30(22-24-40(42)48-44-32-14-4-8-18-36(32)46-37-19-9-5-15-33(37)44)50-58(52,53)26-12-3-13-27-59(54,55)51-31-23-25-41(43(29-31)57-2)49-45-34-16-6-10-20-38(34)47-39-21-11-7-17-35(39)45/h4-11,14-25,28-29,50-51H,3,12-13,26-27H2,1-2H3,(H,46,48)(H,47,49)