3-bromanyl-4-[[(2S)-pentan-2-yl]sulfamoyl]benzoate

Systemtic Name: 3-bromanyl-4-[[(2S)-pentan-2-yl]sulfamoyl]benzoate Openeye Name: 3-bromo-4-[[(1S)-1-methylbutyl]sulfamoyl]benzoate CAS Name: 3-bromo-4-[[(2S)-pentan-2-yl]sulfamoyl]benzoate IUPAC Name: 3-bromo-4-[[(2S)-pentan-2-yl]sulfamoyl]benzoate Traditional Name: 3-bromo-4-[[(1S)-1-methylbutyl]sulfamoyl]benzoate Formula: C12H15BrNO4S- MolecularWeight: 349.2208

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)NS(=O)(=O)C1=C(C=C(C=C1)C(=O)[O-])Br

Isomeric SMILES

CCC[C@H](C)NS(=O)(=O)C1=C(C=C(C=C1)C(=O)[O-])Br

InChI

InChI=1S/C12H16BrNO4S/c1-3-4-8(2)14-19(17,18)11-6-5-9(12(15)16)7-10(11)13/h5-8,14H,3-4H2,1-2H3,(H,15,16)/p-1/t8-/m0/s1