(2-bromanyl-4-methyl-phenyl) 3-sulfamoylbenzenesulfonate

Systemtic Name: (2-bromanyl-4-methyl-phenyl) 3-sulfamoylbenzenesulfonate Openeye Name: (2-bromo-4-methyl-phenyl) 3-sulfamoylbenzenesulfonate CAS Name: 3-sulfamoylbenzenesulfonic acid (2-bromo-4-methylphenyl) ester IUPAC Name: (2-bromo-4-methylphenyl) 3-sulfamoylbenzenesulfonate Traditional Name: 3-sulfamoylbenzenesulfonic acid (2-bromo-4-methyl-phenyl) ester Formula: C13H12BrNO5S2 MolecularWeight: 406.27208

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)Br

Isomeric SMILES

CC1=CC(=C(C=C1)OS(=O)(=O)C2=CC=CC(=C2)S(=O)(=O)N)Br

InChI

InChI=1S/C13H12BrNO5S2/c1-9-5-6-13(12(14)7-9)20-22(18,19)11-4-2-3-10(8-11)21(15,16)17/h2-8H,1H3,(H2,15,16,17)