[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-fluoranyl-5-sulfamoyl-benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-fluoranyl-5-sulfamoyl-benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-fluoro-5-sulfamoyl-benzoate CAS Name: 2-fluoro-5-sulfamoylbenzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-fluoro-5-sulfamoylbenzoate Traditional Name: 2-fluoro-5-sulfamoyl-benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C12H11FN2O5S MolecularWeight: 314.289543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)F

Isomeric SMILES

C#CCNC(=O)COC(=O)C1=C(C=CC(=C1)S(=O)(=O)N)F

InChI

InChI=1S/C12H11FN2O5S/c1-2-5-15-11(16)7-20-12(17)9-6-8(21(14,18)19)3-4-10(9)13/h1,3-4,6H,5,7H2,(H,15,16)(H2,14,18,19)