2-[(2-methylsulfonylphenyl)amino]butanoic acid

Systemtic Name: 2-[(2-methylsulfonylphenyl)amino]butanoic acid Openeye Name: 2-(2-methylsulfonylanilino)butanoic acid CAS Name: 2-(2-methylsulfonylanilino)butanoic acid IUPAC Name: 2-(2-methylsulfonylanilino)butanoic acid Traditional Name: 2-(2-mesylanilino)butyric acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)NC1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

CCC(C(=O)O)NC1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C11H15NO4S/c1-3-8(11(13)14)12-9-6-4-5-7-10(9)17(2,15)16/h4-8,12H,3H2,1-2H3,(H,13,14)