6-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]hexanoic acid

Systemtic Name: 6-[(4-bromanyl-3-methyl-phenyl)sulfonylamino]hexanoic acid Openeye Name: 6-[(4-bromo-3-methyl-phenyl)sulfonylamino]hexanoic acid CAS Name: 6-[(4-bromo-3-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(4-bromo-3-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(4-bromo-3-methyl-phenyl)sulfonylamino]hexanoic acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)S(=O)(=O)NCCCCCC(=O)O)Br

Isomeric SMILES

CC1=C(C=CC(=C1)S(=O)(=O)NCCCCCC(=O)O)Br

InChI

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