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

Systemtic Name: [(2S)-1-(2-methylpropylamino)-1-oxidanylidene-propan-2-yl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [(1S)-2-(isobutylamino)-1-methyl-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [(1S)-2-(isobutylamino)-2-keto-1-methyl-ethyl] ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O5S/c1-8(2)7-17-13(18)9(3)22-14(19)11-6-10(23(16,20)21)4-5-12(11)15/h4-6,8-9H,7H2,1-3H3,(H,17,18)(H2,16,20,21)/t9-/m0/s1