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

Systemtic Name: (Z)-3-(3-carbamimidoylphenyl)-2-fluoranyl-4-methylsulfonyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Openeye Name: (Z)-3-(3-carbamimidoylphenyl)-2-fluoro-4-methylsulfonyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide CAS Name: (Z)-3-(3-carbamimidoylphenyl)-2-fluoro-4-methylsulfonyl-N-[4-(2-sulfamoylphenyl)phenyl]-2-butenamide IUPAC Name: (Z)-3-(3-carbamimidoylphenyl)-2-fluoro-4-methylsulfonyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Traditional Name: (Z)-3-(3-amidinophenyl)-2-fluoro-4-mesyl-N-[4-(2-sulfamoylphenyl)phenyl]but-2-enamide Formula: C24H23FN4O5S2 MolecularWeight: 530.591623

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)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

CS(=O)(=O)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/C24H23FN4O5S2/c1-35(31,32)14-20(16-5-4-6-17(13-16)23(26)27)22(25)24(30)29-18-11-9-15(10-12-18)19-7-2-3-8-21(19)36(28,33)34/h2-13H,14H2,1H3,(H3,26,27)(H,29,30)(H2,28,33,34)/b22-20+