5-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-2,4-dimethyl-benzoic acid

Systemtic Name: 5-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-2,4-dimethyl-benzoic acid Openeye Name: 5-[2-(dimethylamino)-2-oxo-ethyl]sulfonyl-2,4-dimethyl-benzoic acid CAS Name: 5-[2-(dimethylamino)-2-oxoethyl]sulfonyl-2,4-dimethylbenzoic acid IUPAC Name: 5-[2-(dimethylamino)-2-oxoethyl]sulfonyl-2,4-dimethylbenzoic acid Traditional Name: 5-[2-(dimethylamino)-2-keto-ethyl]sulfonyl-2,4-dimethyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)N(C)C)C

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)CC(=O)N(C)C)C

InChI

InChI=1S/C13H17NO5S/c1-8-5-9(2)11(6-10(8)13(16)17)20(18,19)7-12(15)14(3)4/h5-6H,7H2,1-4H3,(H,16,17)