2-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]hexanoic acid

Systemtic Name: 2-[(3-chloranyl-2-methyl-phenyl)sulfonylamino]hexanoic acid Openeye Name: 2-[(3-chloro-2-methyl-phenyl)sulfonylamino]hexanoic acid CAS Name: 2-[(3-chloro-2-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 2-[(3-chloro-2-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 2-[(3-chloro-2-methyl-phenyl)sulfonylamino]hexanoic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO4S/c1-3-4-7-11(13(16)17)15-20(18,19)12-8-5-6-10(14)9(12)2/h5-6,8,11,15H,3-4,7H2,1-2H3,(H,16,17)