[1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate

Systemtic Name: [1-oxidanylidene-1-[(3-sulfamoylphenyl)amino]propan-2-yl] (E)-3-(5-bromanyl-2-fluoranyl-phenyl)prop-2-enoate Openeye Name: [1-methyl-2-oxo-2-(3-sulfamoylanilino)ethyl] (E)-3-(5-bromo-2-fluoro-phenyl)prop-2-enoate CAS Name: (E)-3-(5-bromo-2-fluorophenyl)-2-propenoic acid [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(3-sulfamoylanilino)propan-2-yl] (E)-3-(5-bromo-2-fluorophenyl)prop-2-enoate Traditional Name: (E)-3-(5-bromo-2-fluoro-phenyl)acrylic acid [2-keto-1-methyl-2-(3-sulfamoylanilino)ethyl] ester Formula: C18H16BrFN2O5S MolecularWeight: 471.297443

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)C=CC2=C(C=CC(=C2)Br)F

Isomeric SMILES

CC(C(=O)NC1=CC(=CC=C1)S(=O)(=O)N)OC(=O)/C=C/C2=C(C=CC(=C2)Br)F

InChI

InChI=1S/C18H16BrFN2O5S/c1-11(18(24)22-14-3-2-4-15(10-14)28(21,25)26)27-17(23)8-5-12-9-13(19)6-7-16(12)20/h2-11H,1H3,(H,22,24)(H2,21,25,26)/b8-5+