6-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]hexanoic acid

Systemtic Name: 6-[(5-bromanyl-2-methyl-phenyl)sulfonylamino]hexanoic acid Openeye Name: 6-[(5-bromo-2-methyl-phenyl)sulfonylamino]hexanoic acid CAS Name: 6-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(5-bromo-2-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(5-bromo-2-methyl-phenyl)sulfonylamino]hexanoic acid Formula: C13H18BrNO4S MolecularWeight: 364.25532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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