methyl 5-bromanyl-2-[(4-sulfamoylphenyl)sulfonylamino]benzoate

Systemtic Name: methyl 5-bromanyl-2-[(4-sulfamoylphenyl)sulfonylamino]benzoate Openeye Name: methyl 5-bromo-2-[(4-sulfamoylphenyl)sulfonylamino]benzoate CAS Name: 5-bromo-2-[(4-sulfamoylphenyl)sulfonylamino]benzoic acid methyl ester IUPAC Name: methyl 5-bromo-2-[(4-sulfamoylphenyl)sulfonylamino]benzoate Traditional Name: 5-bromo-2-[(4-sulfamoylphenyl)sulfonylamino]benzoic acid methyl ester Formula: C14H13BrN2O6S2 MolecularWeight: 449.29682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H13BrN2O6S2/c1-23-14(18)12-8-9(15)2-7-13(12)17-25(21,22)11-5-3-10(4-6-11)24(16,19)20/h2-8,17H,1H3,(H2,16,19,20)