N,N'-bis[3-methoxy-4-(quinolin-4-ylamino)phenyl]butane-1,4-disulfonamide

Systemtic Name: N,N'-bis[3-methoxy-4-(quinolin-4-ylamino)phenyl]butane-1,4-disulfonamide Openeye Name: N,N'-bis[3-methoxy-4-(4-quinolylamino)phenyl]butane-1,4-disulfonamide CAS Name: N,N'-bis[3-methoxy-4-(4-quinolinylamino)phenyl]butane-1,4-disulfonamide IUPAC Name: N,N'-bis[3-methoxy-4-(quinolin-4-ylamino)phenyl]butane-1,4-disulfonamide Traditional Name: N,N'-bis[3-methoxy-4-(4-quinolylamino)phenyl]butane-1,4-disulfonamide Formula: C36H36N6O6S2 MolecularWeight: 712.83764

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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)NC3=CC=NC4=CC=CC=C43)OC)NC5=CC=NC6=CC=CC=C65

Isomeric SMILES

COC1=C(C=CC(=C1)NS(=O)(=O)CCCCS(=O)(=O)NC2=CC(=C(C=C2)NC3=CC=NC4=CC=CC=C43)OC)NC5=CC=NC6=CC=CC=C65

InChI

InChI=1S/C36H36N6O6S2/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)