(3,3-dimethyl-2-oxidanylidene-butyl) 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: (3,3-dimethyl-2-oxidanylidene-butyl) 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: (3,3-dimethyl-2-oxo-butyl) 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid (3,3-dimethyl-2-oxobutyl) ester IUPAC Name: (3,3-dimethyl-2-oxobutyl) 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid (2-keto-3,3-dimethyl-butyl) ester Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16BrNO5S/c1-13(2,3)11(16)7-20-12(17)9-6-8(21(15,18)19)4-5-10(9)14/h4-6H,7H2,1-3H3,(H2,15,18,19)