[2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-(cyclopropylamino)-2-oxidanylidene-ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-(cyclopropylamino)-2-oxo-ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-(cyclopropylamino)-2-oxoethyl] ester IUPAC Name: [2-(cyclopropylamino)-2-oxoethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-(cyclopropylamino)-2-keto-ethyl] ester Formula: C13H15NO5S MolecularWeight: 297.3269

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CC2

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2CC2

InChI

InChI=1S/C13H15NO5S/c1-20(17,18)11-6-2-9(3-7-11)13(16)19-8-12(15)14-10-4-5-10/h2-3,6-7,10H,4-5,8H2,1H3,(H,14,15)