[(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: [(2S)-1-oxidanylidene-1-(propan-2-ylamino)propan-2-yl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-2-(isopropylamino)-1-methyl-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] ester IUPAC Name: [(2S)-1-oxo-1-(propan-2-ylamino)propan-2-yl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [(1S)-2-(isopropylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H17BrN2O5S MolecularWeight: 393.25348

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)C(C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br

Isomeric SMILES

C[C@@H](C(=O)NC(C)C)OC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)Br

InChI

InChI=1S/C13H17BrN2O5S/c1-7(2)16-12(17)8(3)21-13(18)10-6-9(22(15,19)20)4-5-11(10)14/h4-8H,1-3H3,(H,16,17)(H2,15,19,20)/t8-/m0/s1