[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 3-methylsulfonylbenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 3-methylsulfonylbenzoate CAS Name: 3-methylsulfonylbenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 3-methylsulfonylbenzoate Traditional Name: 3-mesylbenzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)C

Isomeric SMILES

CC(C)NC(=O)COC(=O)C1=CC(=CC=C1)S(=O)(=O)C

InChI

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