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

Systemtic Name: 4-[(2-methylsulfonylphenyl)amino]butanoic acid Openeye Name: 4-(2-methylsulfonylanilino)butanoic acid CAS Name: 4-(2-methylsulfonylanilino)butanoic acid IUPAC Name: 4-(2-methylsulfonylanilino)butanoic acid Traditional Name: 4-(2-mesylanilino)butyric acid Formula: C11H15NO4S MolecularWeight: 257.3061

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NCCCC(=O)O

InChI

InChI=1S/C11H15NO4S/c1-17(15,16)10-6-3-2-5-9(10)12-8-4-7-11(13)14/h2-3,5-6,12H,4,7-8H2,1H3,(H,13,14)