[2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylamino)ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(isopropylamino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-(propan-2-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylamino)ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(isopropylamino)-2-keto-ethyl] ester Formula: C13H17NO5S MolecularWeight: 299.34278

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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