[2-oxidanylidene-2-[[(2S)-pentan-2-yl]amino]ethyl] 2-bromanyl-5-sulfamoyl-benzoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19BrN2O5S/c1-3-4-9(2)17-13(18)8-22-14(19)11-7-10(23(16,20)21)5-6-12(11)15/h5-7,9H,3-4,8H2,1-2H3,(H,17,18)(H2,16,20,21)/t9-/m0/s1