[2-methoxy-4-[4-[[3-methoxy-4-(quinolin-4-ylazaniumyl)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-quinolin-4-yl-azanium dichloride

Systemtic Name: [2-methoxy-4-[4-[[3-methoxy-4-(quinolin-4-ylazaniumyl)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-quinolin-4-yl-azanium dichloride Openeye Name: [2-methoxy-4-[4-[[3-methoxy-4-(4-quinolylammonio)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-(4-quinolyl)ammonium dichloride CAS Name: [2-methoxy-4-[4-[[3-methoxy-4-(4-quinolinylammonio)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-(4-quinolinyl)ammonium dichloride IUPAC Name: [2-methoxy-4-[4-[[3-methoxy-4-(quinolin-4-ylazaniumyl)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-quinolin-4-ylazanium dichloride Traditional Name: [2-methoxy-4-[4-[[3-methoxy-4-(4-quinolylammonio)phenyl]sulfamoyl]butylsulfonylamino]phenyl]-(4-quinolyl)ammonium dichloride Formula: C36H38Cl2N6O6S2 MolecularWeight: 785.75952

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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)[NH2+]C3=CC=NC4=CC=CC=C43)OC)[NH2+]C5=CC=NC6=CC=CC=C65.[Cl-].[Cl-]

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)CCCCS(=O)(=O)NC2=CC(=C(C=C2)[NH2+]C3=CC=NC4=CC=CC=C43)OC)[NH2+]C5=CC=NC6=CC=CC=C65.[Cl-].[Cl-]

InChI

InChI=1S/C36H36N6O6S2.2ClH/c1-47-35-23-25(13-15-33(35)39-31-17-19-37-29-11-5-3-9-27(29)31)41-49(43,44)21-7-8-22-50(45,46)42-26-14-16-34(36(24-26)48-2)40-32-18-20-38-30-12-6-4-10-28(30)32;;/h3-6,9-20,23-24,41-42H,7-8,21-22H2,1-2H3,(H,37,39)(H,38,40);2*1H