[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(methylsulfonylmethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-(methylsulfonylmethyl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(methylsulfonylmethyl)benzoate CAS Name: 3-(methylsulfonylmethyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-(methylsulfonylmethyl)benzoate Traditional Name: 3-(mesylmethyl)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CS(=O)(=O)CC1=CC=CC(=C1)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C14H15NO5S/c1-3-7-15-13(16)9-20-14(17)12-6-4-5-11(8-12)10-21(2,18)19/h1,4-6,8H,7,9-10H2,2H3,(H,15,16)