[2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-bromanyl-5-(methylsulfamoyl)benzoate

Systemtic Name: [2-oxidanylidene-2-(prop-2-ynylamino)ethyl] 2-bromanyl-5-(methylsulfamoyl)benzoate Openeye Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-bromo-5-(methylsulfamoyl)benzoate CAS Name: 2-bromo-5-(methylsulfamoyl)benzoic acid [2-oxo-2-(prop-2-ynylamino)ethyl] ester IUPAC Name: [2-oxo-2-(prop-2-ynylamino)ethyl] 2-bromo-5-(methylsulfamoyl)benzoate Traditional Name: 2-bromo-5-(methylsulfamoyl)benzoic acid [2-keto-2-(propargylamino)ethyl] ester Formula: C13H13BrN2O5S MolecularWeight: 389.22172

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCC(=O)NCC#C

Isomeric SMILES

CNS(=O)(=O)C1=CC(=C(C=C1)Br)C(=O)OCC(=O)NCC#C

InChI

InChI=1S/C13H13BrN2O5S/c1-3-6-16-12(17)8-21-13(18)10-7-9(4-5-11(10)14)22(19,20)15-2/h1,4-5,7,15H,6,8H2,2H3,(H,16,17)