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

Systemtic Name: 4-[methyl-(2-methylsulfonylphenyl)amino]butanoic acid Openeye Name: 4-(N-methyl-2-methylsulfonyl-anilino)butanoic acid CAS Name: 4-(N-methyl-2-methylsulfonylanilino)butanoic acid IUPAC Name: 4-(N-methyl-2-methylsulfonylanilino)butanoic acid Traditional Name: 4-(2-mesyl-N-methyl-anilino)butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCCC(=O)O)C1=CC=CC=C1S(=O)(=O)C

Isomeric SMILES

CN(CCCC(=O)O)C1=CC=CC=C1S(=O)(=O)C

InChI

InChI=1S/C12H17NO4S/c1-13(9-5-8-12(14)15)10-6-3-4-7-11(10)18(2,16)17/h3-4,6-7H,5,8-9H2,1-2H3,(H,14,15)