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

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(methylamino)ethyl] ester Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-13-11(14)7-18-12(15)10-5-3-4-9(6-10)8-19(2,16)17/h3-6H,7-8H2,1-2H3,(H,13,14)