6-[(2-methylsulfonylphenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(2-methylsulfonylphenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(2-methylsulfonylanilino)-6-oxo-hexanoic acid CAS Name: 6-(2-methylsulfonylanilino)-6-oxohexanoic acid IUPAC Name: 6-(2-methylsulfonylanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-(2-mesylanilino)hexanoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-20(18,19)11-7-3-2-6-10(11)14-12(15)8-4-5-9-13(16)17/h2-3,6-7H,4-5,8-9H2,1H3,(H,14,15)(H,16,17)