(E)-3-(5-azanyl-2-nitro-phenyl)-2-fluoranyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide

Systemtic Name: (E)-3-(5-azanyl-2-nitro-phenyl)-2-fluoranyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Openeye Name: (E)-3-(5-amino-2-nitro-phenyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide CAS Name: (E)-3-(5-amino-2-nitrophenyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]-2-butenamide IUPAC Name: (E)-3-(5-amino-2-nitrophenyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Traditional Name: (E)-3-(5-amino-2-nitro-phenyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Formula: C22H19FN4O5S MolecularWeight: 470.473463

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)F)C3=C(C=CC(=C3)N)[N+](=O)[O-]

Isomeric SMILES

C/C(=C(/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)\F)/C3=C(C=CC(=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C22H19FN4O5S/c1-13(18-12-15(24)8-11-19(18)27(29)30)21(23)22(28)26-16-9-6-14(7-10-16)17-4-2-3-5-20(17)33(25,31)32/h2-12H,24H2,1H3,(H,26,28)(H2,25,31,32)/b21-13+