2-[(4-methylsulfonylphenyl)amino]hexanoic acid

Systemtic Name: 2-[(4-methylsulfonylphenyl)amino]hexanoic acid Openeye Name: 2-(4-methylsulfonylanilino)hexanoic acid CAS Name: 2-(4-methylsulfonylanilino)hexanoic acid IUPAC Name: 2-(4-methylsulfonylanilino)hexanoic acid Traditional Name: 2-(4-mesylanilino)hexanoic acid Formula: C13H19NO4S MolecularWeight: 285.35926

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(C(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C

Isomeric SMILES

CCCCC(C(=O)O)NC1=CC=C(C=C1)S(=O)(=O)C

InChI

InChI=1S/C13H19NO4S/c1-3-4-5-12(13(15)16)14-10-6-8-11(9-7-10)19(2,17)18/h6-9,12,14H,3-5H2,1-2H3,(H,15,16)