3-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxidanylidene-propanoic acid

Systemtic Name: 3-[2-[(4-bromanyl-2-fluoranyl-phenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxidanylidene-propanoic acid Openeye Name: 3-[2-[(4-bromo-2-fluoro-phenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxo-propanoic acid CAS Name: 3-[2-[(4-bromo-2-fluorophenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxopropanoic acid IUPAC Name: 3-[2-[(4-bromo-2-fluorophenyl)methylsulfamoyl]phenyl]-2-cyano-3-oxopropanoic acid Traditional Name: 3-[2-[(4-bromo-2-fluoro-benzyl)sulfamoyl]phenyl]-2-cyano-3-keto-propionic acid Formula: C17H12BrFN2O5S MolecularWeight: 455.254983

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)C(C#N)C(=O)O)S(=O)(=O)NCC2=C(C=C(C=C2)Br)F

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)C(C#N)C(=O)O)S(=O)(=O)NCC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C17H12BrFN2O5S/c18-11-6-5-10(14(19)7-11)9-21-27(25,26)15-4-2-1-3-12(15)16(22)13(8-20)17(23)24/h1-7,13,21H,9H2,(H,23,24)