(Z)-N-[2-bromanyl-4-(3-sulfamoylpyridin-4-yl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluoranyl-but-2-enamide

Systemtic Name: (Z)-N-[2-bromanyl-4-(3-sulfamoylpyridin-4-yl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluoranyl-but-2-enamide Openeye Name: (Z)-N-[2-bromo-4-(3-sulfamoyl-4-pyridyl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluoro-but-2-enamide CAS Name: (Z)-N-[2-bromo-4-(3-sulfamoyl-4-pyridinyl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluoro-2-butenamide IUPAC Name: (Z)-N-[2-bromo-4-(3-sulfamoylpyridin-4-yl)phenyl]-3-(3-carbamimidoylphenyl)-2-fluorobut-2-enamide Traditional Name: (Z)-3-(3-amidinophenyl)-N-[2-bromo-4-(3-sulfamoyl-4-pyridyl)phenyl]-2-fluoro-but-2-enamide Formula: C22H19BrFN5O3S MolecularWeight: 532.385363

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Descriptors Computed from Structure

Canonical SMILES:

CC(=C(C(=O)NC1=C(C=C(C=C1)C2=C(C=NC=C2)S(=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=C(C=NC=C2)S(=O)(=O)N)Br)/F)/C3=CC(=CC=C3)C(=N)N

InChI

InChI=1S/C22H19BrFN5O3S/c1-12(13-3-2-4-15(9-13)21(25)26)20(24)22(30)29-18-6-5-14(10-17(18)23)16-7-8-28-11-19(16)33(27,31)32/h2-11H,1H3,(H3,25,26)(H,29,30)(H2,27,31,32)/b20-12-