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

Systemtic Name: 4-[(2-methyl-5-methylsulfonyl-phenyl)amino]-4-oxidanylidene-butanoic acid Openeye Name: 4-(2-methyl-5-methylsulfonyl-anilino)-4-oxo-butanoic acid CAS Name: 4-(2-methyl-5-methylsulfonylanilino)-4-oxobutanoic acid IUPAC Name: 4-(2-methyl-5-methylsulfonylanilino)-4-oxobutanoic acid Traditional Name: 4-keto-4-(5-mesyl-2-methyl-anilino)butyric acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)NC(=O)CCC(=O)O

InChI

InChI=1S/C12H15NO5S/c1-8-3-4-9(19(2,17)18)7-10(8)13-11(14)5-6-12(15)16/h3-4,7H,5-6H2,1-2H3,(H,13,14)(H,15,16)