[2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate

Systemtic Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxidanylidene-ethyl] 2-bromanyl-5-sulfamoyl-benzoate Openeye Name: [2-[[(1R)-1,2-dimethylpropyl]amino]-2-oxo-ethyl] 2-bromo-5-sulfamoyl-benzoate CAS Name: 2-bromo-5-sulfamoylbenzoic acid [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(2R)-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-bromo-5-sulfamoylbenzoate Traditional Name: 2-bromo-5-sulfamoyl-benzoic acid [2-[[(1R)-1,2-dimethylpropyl]amino]-2-keto-ethyl] ester Formula: C14H19BrN2O5S MolecularWeight: 407.28006

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O5S/c1-8(2)9(3)17-13(18)7-22-14(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-/m1/s1