6-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-6-oxidanylidene-hexanoic acid

Systemtic Name: 6-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(2-chloro-5-methylsulfonyl-anilino)-6-oxo-hexanoic acid CAS Name: 6-(2-chloro-5-methylsulfonylanilino)-6-oxohexanoic acid IUPAC Name: 6-(2-chloro-5-methylsulfonylanilino)-6-oxohexanoic acid Traditional Name: 6-(2-chloro-5-mesyl-anilino)-6-keto-hexanoic acid Formula: C13H16ClNO5S MolecularWeight: 333.78784

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16ClNO5S/c1-21(19,20)9-6-7-10(14)11(8-9)15-12(16)4-2-3-5-13(17)18/h6-8H,2-5H2,1H3,(H,15,16)(H,17,18)