N-[4-(acridin-9-ylamino)-3-[4-[2-(acridin-9-ylamino)-5-(methylsulfonylamino)phenoxy]butoxy]phenyl]methanesulfonamide dihydrochloride

Systemtic Name: N-[4-(acridin-9-ylamino)-3-[4-[2-(acridin-9-ylamino)-5-(methylsulfonylamino)phenoxy]butoxy]phenyl]methanesulfonamide dihydrochloride Openeye Name: N-[4-(acridin-9-ylamino)-3-[4-[2-(acridin-9-ylamino)-5-(methanesulfonamido)phenoxy]butoxy]phenyl]methanesulfonamide dihydrochloride CAS Name: N-[4-(9-acridinylamino)-3-[4-[2-(9-acridinylamino)-5-(methanesulfonamido)phenoxy]butoxy]phenyl]methanesulfonamide dihydrochloride IUPAC Name: N-[4-(acridin-9-ylamino)-3-[4-[2-(acridin-9-ylamino)-5-(methanesulfonamido)phenoxy]butoxy]phenyl]methanesulfonamide dihydrochloride Traditional Name: N-[4-(acridin-9-ylamino)-3-[4-[2-(acridin-9-ylamino)-5-(methanesulfonamido)phenoxy]butoxy]phenyl]methanesulfonamide dihydrochloride Formula: C44H42Cl2N6O6S2 MolecularWeight: 885.87688

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OCCCCOC5=C(C=CC(=C5)NS(=O)(=O)C)NC6=C7C=CC=CC7=NC8=CC=CC=C86.Cl.Cl

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)NC2=C3C=CC=CC3=NC4=CC=CC=C42)OCCCCOC5=C(C=CC(=C5)NS(=O)(=O)C)NC6=C7C=CC=CC7=NC8=CC=CC=C86.Cl.Cl

InChI

InChI=1S/C44H40N6O6S2.2ClH/c1-57(51,52)49-29-21-23-39(47-43-31-13-3-7-17-35(31)45-36-18-8-4-14-32(36)43)41(27-29)55-25-11-12-26-56-42-28-30(50-58(2,53)54)22-24-40(42)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);2*1H