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

Systemtic Name: (E)-N-[2-bromanyl-4-(2-sulfamoylphenyl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluoranyl-but-2-enamide Openeye Name: (E)-N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluoro-but-2-enamide CAS Name: (E)-N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluoro-2-butenamide IUPAC Name: (E)-N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluorobut-2-enamide Traditional Name: (E)-3-(3-amidinophenyl)-N-[2-bromo-4-(2-sulfamoylphenyl)phenyl]-2-fluoro-but-2-enamide Formula: C23H20BrFN4O3S MolecularWeight: 531.397303

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20BrFN4O3S/c1-13(14-5-4-6-16(11-14)22(26)27)21(25)23(30)29-19-10-9-15(12-18(19)24)17-7-2-3-8-20(17)33(28,31)32/h2-12H,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)/b21-13+