[2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate

Systemtic Name: [2-[(4-bromanyl-2-fluoranyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-2-oxo-ethyl] 4-(prop-2-ynylsulfamoyl)benzoate CAS Name: 4-(prop-2-ynylsulfamoyl)benzoic acid [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-bromo-2-fluoroanilino)-2-oxoethyl] 4-(prop-2-ynylsulfamoyl)benzoate Traditional Name: 4-(propargylsulfamoyl)benzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-ethyl] ester Formula: C18H14BrFN2O5S MolecularWeight: 469.281563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C#CCNS(=O)(=O)C1=CC=C(C=C1)C(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C18H14BrFN2O5S/c1-2-9-21-28(25,26)14-6-3-12(4-7-14)18(24)27-11-17(23)22-16-8-5-13(19)10-15(16)20/h1,3-8,10,21H,9,11H2,(H,22,23)