3-[4-[acridin-9-ylcarbonyl-(2,4-dimethoxyphenyl)sulfamoyl]phenyl]propanoic acid hydrobromide

Systemtic Name: 3-[4-[acridin-9-ylcarbonyl-(2,4-dimethoxyphenyl)sulfamoyl]phenyl]propanoic acid hydrobromide Openeye Name: 3-[4-[acridine-9-carbonyl-(2,4-dimethoxyphenyl)sulfamoyl]phenyl]propanoic acid hydrobromide CAS Name: 3-[4-[[9-acridinyl(oxo)methyl]-(2,4-dimethoxyphenyl)sulfamoyl]phenyl]propanoic acid hydrobromide IUPAC Name: 3-[4-[acridine-9-carbonyl-(2,4-dimethoxyphenyl)sulfamoyl]phenyl]propanoic acid hydrobromide Traditional Name: 3-[4-[acridine-9-carbonyl-(2,4-dimethoxyphenyl)sulfamoyl]phenyl]propionic acid hydrobromide Formula: C31H27BrN2O7S MolecularWeight: 651.52428

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)N(C(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42)S(=O)(=O)C5=CC=C(C=C5)CCC(=O)O)OC.Br

Isomeric SMILES

COC1=CC(=C(C=C1)N(C(=O)C2=C3C=CC=CC3=NC4=CC=CC=C42)S(=O)(=O)C5=CC=C(C=C5)CCC(=O)O)OC.Br

InChI

InChI=1S/C31H26N2O7S.BrH/c1-39-21-14-17-27(28(19-21)40-2)33(41(37,38)22-15-11-20(12-16-22)13-18-29(34)35)31(36)30-23-7-3-5-9-25(23)32-26-10-6-4-8-24(26)30;/h3-12,14-17,19H,13,18H2,1-2H3,(H,34,35);1H