4-(3-carbamimidoyl-4-fluoranyl-phenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide

Systemtic Name: 4-(3-carbamimidoyl-4-fluoranyl-phenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide Openeye Name: 4-(3-carbamimidoyl-4-fluoro-phenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide CAS Name: 4-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-3-pyridinecarboxamide IUPAC Name: 4-(3-carbamimidoyl-4-fluorophenyl)-N-[4-(2-sulfamoylphenyl)phenyl]pyridine-3-carboxamide Traditional Name: 4-(3-amidino-4-fluoro-phenyl)-N-[4-(2-sulfamoylphenyl)phenyl]nicotinamide Formula: C25H20FN5O3S MolecularWeight: 489.521403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C3=C(C=CN=C3)C4=CC(=C(C=C4)F)C(=N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C3=C(C=CN=C3)C4=CC(=C(C=C4)F)C(=N)N)S(=O)(=O)N

InChI

InChI=1S/C25H20FN5O3S/c26-22-10-7-16(13-20(22)24(27)28)18-11-12-30-14-21(18)25(32)31-17-8-5-15(6-9-17)19-3-1-2-4-23(19)35(29,33)34/h1-14H,(H3,27,28)(H,31,32)(H2,29,33,34)