[2-(dimethylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-14(2)12(15)8-19-13(16)11-6-4-5-10(7-11)9-20(3,17)18/h4-7H,8-9H2,1-3H3