6-[(2,5-dimethylphenyl)sulfonylamino]hexanoic acid

Systemtic Name: 6-[(2,5-dimethylphenyl)sulfonylamino]hexanoic acid Openeye Name: 6-[(2,5-dimethylphenyl)sulfonylamino]hexanoic acid CAS Name: 6-[(2,5-dimethylphenyl)sulfonylamino]hexanoic acid IUPAC Name: 6-[(2,5-dimethylphenyl)sulfonylamino]hexanoic acid Traditional Name: 6-[(2,5-dimethylphenyl)sulfonylamino]hexanoic acid Formula: C14H21NO4S MolecularWeight: 299.38584

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H21NO4S/c1-11-7-8-12(2)13(10-11)20(18,19)15-9-5-3-4-6-14(16)17/h7-8,10,15H,3-6,9H2,1-2H3,(H,16,17)