[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 4-methylsulfonylbenzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13NO5S MolecularWeight: 295.31102

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C13H13NO5S/c1-3-8-14-12(15)9-19-13(16)10-4-6-11(7-5-10)20(2,17)18/h1,4-7H,8-9H2,2H3,(H,14,15)