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

Systemtic Name: 5-[(2-methyl-5-methylsulfonyl-phenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methyl-5-methylsulfonyl-anilino)-5-oxo-pentanoic acid CAS Name: 5-(2-methyl-5-methylsulfonylanilino)-5-oxopentanoic acid IUPAC Name: 5-(2-methyl-5-methylsulfonylanilino)-5-oxopentanoic acid Traditional Name: 5-keto-5-(5-mesyl-2-methyl-anilino)valeric acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-9-6-7-10(20(2,18)19)8-11(9)14-12(15)4-3-5-13(16)17/h6-8H,3-5H2,1-2H3,(H,14,15)(H,16,17)