4-[(2-methyl-5-methylsulfonyl-phenyl)amino]butanoic acid

Systemtic Name: 4-[(2-methyl-5-methylsulfonyl-phenyl)amino]butanoic acid Openeye Name: 4-(2-methyl-5-methylsulfonyl-anilino)butanoic acid CAS Name: 4-(2-methyl-5-methylsulfonylanilino)butanoic acid IUPAC Name: 4-(2-methyl-5-methylsulfonylanilino)butanoic acid Traditional Name: 4-(5-mesyl-2-methyl-anilino)butyric acid Formula: C12H17NO4S MolecularWeight: 271.33268

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NCCCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NCCCC(=O)O

InChI

InChI=1S/C12H17NO4S/c1-9-5-6-10(18(2,16)17)8-11(9)13-7-3-4-12(14)15/h5-6,8,13H,3-4,7H2,1-2H3,(H,14,15)