6-[(4-methylsulfonylphenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(4-methylsulfonylphenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(4-methylsulfonylanilino)-6-oxo-hexanoic acid CAS Name: 6-(4-methylsulfonylanilino)-6-oxohexanoic acid IUPAC Name: 6-(4-methylsulfonylanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-(4-mesylanilino)hexanoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCCCC(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)NC(=O)CCCCC(=O)O

InChI

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