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

Systemtic Name: 6-[(2-methyl-5-methylsulfonyl-phenyl)amino]-6-oxidanylidene-hexanoic acid Openeye Name: 6-(2-methyl-5-methylsulfonyl-anilino)-6-oxo-hexanoic acid CAS Name: 6-(2-methyl-5-methylsulfonylanilino)-6-oxohexanoic acid IUPAC Name: 6-(2-methyl-5-methylsulfonylanilino)-6-oxohexanoic acid Traditional Name: 6-keto-6-(5-mesyl-2-methyl-anilino)hexanoic acid Formula: C14H19NO5S MolecularWeight: 313.36936

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H19NO5S/c1-10-7-8-11(21(2,19)20)9-12(10)15-13(16)5-3-4-6-14(17)18/h7-9H,3-6H2,1-2H3,(H,15,16)(H,17,18)