3-[(2-methylsulfonylphenyl)amino]butanoic acid

Systemtic Name: 3-[(2-methylsulfonylphenyl)amino]butanoic acid Openeye Name: 3-(2-methylsulfonylanilino)butanoic acid CAS Name: 3-(2-methylsulfonylanilino)butanoic acid IUPAC Name: 3-(2-methylsulfonylanilino)butanoic acid Traditional Name: 3-(2-mesylanilino)butyric acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H15NO4S/c1-8(7-11(13)14)12-9-5-3-4-6-10(9)17(2,15)16/h3-6,8,12H,7H2,1-2H3,(H,13,14)