3-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methoxy-benzoic acid

Systemtic Name: 3-[2-(dimethylamino)-2-oxidanylidene-ethyl]sulfonyl-4-methoxy-benzoic acid Openeye Name: 3-[2-(dimethylamino)-2-oxo-ethyl]sulfonyl-4-methoxy-benzoic acid CAS Name: 3-[2-(dimethylamino)-2-oxoethyl]sulfonyl-4-methoxybenzoic acid IUPAC Name: 3-[2-(dimethylamino)-2-oxoethyl]sulfonyl-4-methoxybenzoic acid Traditional Name: 3-[2-(dimethylamino)-2-keto-ethyl]sulfonyl-4-methoxy-benzoic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC

Isomeric SMILES

CN(C)C(=O)CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C12H15NO6S/c1-13(2)11(14)7-20(17,18)10-6-8(12(15)16)4-5-9(10)19-3/h4-6H,7H2,1-3H3,(H,15,16)