[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 3-[(5-fluoranyl-2-methyl-phenyl)sulfonylamino]benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(5-fluoro-2-methyl-phenyl)sulfonylamino]benzoate CAS Name: 3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 3-[(5-fluoro-2-methylphenyl)sulfonylamino]benzoate Traditional Name: 3-[(5-fluoro-2-methyl-phenyl)sulfonylamino]benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C19H17FN2O5S MolecularWeight: 404.412083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CC1=C(C=C(C=C1)F)S(=O)(=O)NC2=CC=CC(=C2)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C19H17FN2O5S/c1-3-9-21-18(23)12-27-19(24)14-5-4-6-16(10-14)22-28(25,26)17-11-15(20)8-7-13(17)2/h1,4-8,10-11,22H,9,12H2,2H3,(H,21,23)