(E)-3-(3-carbamimidoylphenyl)-2-fluoranyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide

Systemtic Name: (E)-3-(3-carbamimidoylphenyl)-2-fluoranyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Openeye Name: (E)-3-(3-carbamimidoylphenyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide CAS Name: (E)-3-(3-carbamimidoylphenyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]-2-butenamide IUPAC Name: (E)-3-(3-carbamimidoylphenyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Traditional Name: (E)-3-(3-amidinophenyl)-2-fluoro-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Formula: C23H21FN4O3S MolecularWeight: 452.501243

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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=CC(=CC=C3)C(=N)N

Isomeric SMILES

C/C(=C(/C(=O)NC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)\F)/C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C23H21FN4O3S/c1-14(16-5-4-6-17(13-16)22(25)26)21(24)23(29)28-18-11-9-15(10-12-18)19-7-2-3-8-20(19)32(27,30)31/h2-13H,1H3,(H3,25,26)(H,28,29)(H2,27,30,31)/b21-14+