(4-aminocarbonylacridin-9-yl)-[2-[4-[2-[(4-aminocarbonylacridin-9-yl)azaniumyl]-4-(methylsulfonylamino)phenoxy]butoxy]-5-(methylsulfonylamino)phenyl]azanium dichloride

Systemtic Name: (4-aminocarbonylacridin-9-yl)-[2-[4-[2-[(4-aminocarbonylacridin-9-yl)azaniumyl]-4-(methylsulfonylamino)phenoxy]butoxy]-5-(methylsulfonylamino)phenyl]azanium dichloride Openeye Name: (4-carbamoylacridin-9-yl)-[2-[4-[2-[(4-carbamoylacridin-9-yl)ammonio]-4-(methanesulfonamido)phenoxy]butoxy]-5-(methanesulfonamido)phenyl]ammonium dichloride CAS Name: (4-carbamoyl-9-acridinyl)-[2-[4-[2-[(4-carbamoyl-9-acridinyl)ammonio]-4-(methanesulfonamido)phenoxy]butoxy]-5-(methanesulfonamido)phenyl]ammonium dichloride IUPAC Name: (4-carbamoylacridin-9-yl)-[2-[4-[2-[(4-carbamoylacridin-9-yl)azaniumyl]-4-(methanesulfonamido)phenoxy]butoxy]-5-(methanesulfonamido)phenyl]azanium dichloride Traditional Name: (4-carbamoylacridin-9-yl)-[2-[4-[2-[(4-carbamoylacridin-9-yl)ammonio]-4-(methanesulfonamido)phenoxy]butoxy]-5-(methanesulfonamido)phenyl]ammonium dichloride Formula: C46H44Cl2N8O8S2 MolecularWeight: 971.92636

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C(C=C1)OCCCCOC2=C(C=C(C=C2)NS(=O)(=O)C)[NH2+]C3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N)[NH2+]C6=C7C=CC=C(C7=NC8=CC=CC=C86)C(=O)N.[Cl-].[Cl-]

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C(C=C1)OCCCCOC2=C(C=C(C=C2)NS(=O)(=O)C)[NH2+]C3=C4C=CC=C(C4=NC5=CC=CC=C53)C(=O)N)[NH2+]C6=C7C=CC=C(C7=NC8=CC=CC=C86)C(=O)N.[Cl-].[Cl-]

InChI

InChI=1S/C46H42N8O8S2.2ClH/c1-63(57,58)53-27-19-21-39(37(25-27)51-41-29-11-3-5-17-35(29)49-43-31(41)13-9-15-33(43)45(47)55)61-23-7-8-24-62-40-22-20-28(54-64(2,59)60)26-38(40)52-42-30-12-4-6-18-36(30)50-44-32(42)14-10-16-34(44)46(48)56;;/h3-6,9-22,25-26,53-54H,7-8,23-24H2,1-2H3,(H2,47,55)(H2,48,56)(H,49,51)(H,50,52);2*1H