[2-(dimethylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(C)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OCC(=O)N(C)C

InChI

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