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

Systemtic Name: (E)-3-(4-carbamimidoyl-3-fluoranyl-phenyl)-N-[2-chloranyl-4-(2-sulfamoylphenyl)phenyl]-2-fluoranyl-but-2-enamide Openeye Name: (E)-3-(4-carbamimidoyl-3-fluoro-phenyl)-N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-2-fluoro-but-2-enamide CAS Name: (E)-3-(4-carbamimidoyl-3-fluorophenyl)-N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-2-fluoro-2-butenamide IUPAC Name: (E)-3-(4-carbamimidoyl-3-fluorophenyl)-N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-2-fluorobut-2-enamide Traditional Name: (E)-3-(4-amidino-3-fluoro-phenyl)-N-[2-chloro-4-(2-sulfamoylphenyl)phenyl]-2-fluoro-but-2-enamide Formula: C23H19ClF2N4O3S MolecularWeight: 504.936766

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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)Cl)F)C3=CC(=C(C=C3)C(=N)N)F

Isomeric SMILES

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

InChI

InChI=1S/C23H19ClF2N4O3S/c1-12(13-6-8-16(22(27)28)18(25)11-13)21(26)23(31)30-19-9-7-14(10-17(19)24)15-4-2-3-5-20(15)34(29,32)33/h2-11H,1H3,(H3,27,28)(H,30,31)(H2,29,32,33)/b21-12+