5-bromanyl-2-fluoranyl-3-[methyl(pentyl)sulfamoyl]benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-[methyl(pentyl)sulfamoyl]benzoic acid Openeye Name: 5-bromo-2-fluoro-3-[methyl(pentyl)sulfamoyl]benzoic acid CAS Name: 5-bromo-2-fluoro-3-[methyl(pentyl)sulfamoyl]benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-[methyl(pentyl)sulfamoyl]benzoic acid Traditional Name: 3-[amyl(methyl)sulfamoyl]-5-bromo-2-fluoro-benzoic acid Formula: C13H17BrFNO4S MolecularWeight: 382.245783

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN(C)S(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

Isomeric SMILES

CCCCCN(C)S(=O)(=O)C1=C(C(=CC(=C1)Br)C(=O)O)F

InChI

InChI=1S/C13H17BrFNO4S/c1-3-4-5-6-16(2)21(19,20)11-8-9(14)7-10(12(11)15)13(17)18/h7-8H,3-6H2,1-2H3,(H,17,18)