2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]hexanoic acid

Systemtic Name: 2-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]hexanoic acid Openeye Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]hexanoic acid CAS Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 2-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 2-[(5-bromo-2-methyl-phenyl)sulfonylamino]hexanoic acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)Br)C

Isomeric SMILES

CCCCC(C(=O)O)NS(=O)(=O)C1=C(C=CC(=C1)Br)C

InChI

InChI=1S/C13H18BrNO4S/c1-3-4-5-11(13(16)17)15-20(18,19)12-8-10(14)7-6-9(12)2/h6-8,11,15H,3-5H2,1-2H3,(H,16,17)