5-[(2-methylsulfonylphenyl)amino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-[(2-methylsulfonylphenyl)amino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(2-methylsulfonylanilino)-5-oxo-pentanoic acid CAS Name: 5-(2-methylsulfonylanilino)-5-oxopentanoic acid IUPAC Name: 5-(2-methylsulfonylanilino)-5-oxopentanoic acid Traditional Name: 5-keto-5-(2-mesylanilino)valeric acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1NC(=O)CCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1NC(=O)CCCC(=O)O

InChI

InChI=1S/C12H15NO5S/c1-19(17,18)10-6-3-2-5-9(10)13-11(14)7-4-8-12(15)16/h2-3,5-6H,4,7-8H2,1H3,(H,13,14)(H,15,16)