6-[(4-chloranyl-2-methyl-phenyl)sulfonylamino]hexanoic acid

Systemtic Name: 6-[(4-chloranyl-2-methyl-phenyl)sulfonylamino]hexanoic acid Openeye Name: 6-[(4-chloro-2-methyl-phenyl)sulfonylamino]hexanoic acid CAS Name: 6-[(4-chloro-2-methylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(4-chloro-2-methylphenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(4-chloro-2-methyl-phenyl)sulfonylamino]hexanoic acid Formula: C13H18ClNO4S MolecularWeight: 319.80432

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18ClNO4S/c1-10-9-11(14)6-7-12(10)20(18,19)15-8-4-2-3-5-13(16)17/h6-7,9,15H,2-5,8H2,1H3,(H,16,17)