[2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: [2-(2-methylbutan-2-ylamino)-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [2-(1,1-dimethylpropylamino)-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [2-(2-methylbutan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(2-methylbutan-2-ylamino)-2-oxoethyl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [2-(tert-amylamino)-2-keto-ethyl] ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O5S/c1-4-14(2,3)17-12(18)8-22-13(19)10-7-9(23(16,20)21)5-6-11(10)15/h5-7H,4,8H2,1-3H3,(H,17,18)(H2,16,20,21)