2-bromanyl-5-[(4-methoxy-3-sulfamoyl-phenyl)sulfamoyl]benzoic acid

Systemtic Name: 2-bromanyl-5-[(4-methoxy-3-sulfamoyl-phenyl)sulfamoyl]benzoic acid Openeye Name: 2-bromo-5-[(4-methoxy-3-sulfamoyl-phenyl)sulfamoyl]benzoic acid CAS Name: 2-bromo-5-[(4-methoxy-3-sulfamoylphenyl)sulfamoyl]benzoic acid IUPAC Name: 2-bromo-5-[(4-methoxy-3-sulfamoylphenyl)sulfamoyl]benzoic acid Traditional Name: 2-bromo-5-[(4-methoxy-3-sulfamoyl-phenyl)sulfamoyl]benzoic acid Formula: C14H13BrN2O7S2 MolecularWeight: 465.29622

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)S(=O)(=O)N

Isomeric SMILES

COC1=C(C=C(C=C1)NS(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O)S(=O)(=O)N

InChI

InChI=1S/C14H13BrN2O7S2/c1-24-12-5-2-8(6-13(12)25(16,20)21)17-26(22,23)9-3-4-11(15)10(7-9)14(18)19/h2-7,17H,1H3,(H,18,19)(H2,16,20,21)