N2-(3-carbamimidoylphenyl)-N1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]benzene-1,2-dicarboxamide

Systemtic Name: N2-(3-carbamimidoylphenyl)-N1-[2-fluoranyl-4-(2-methylsulfonylphenyl)phenyl]benzene-1,2-dicarboxamide Openeye Name: N2-(3-carbamimidoylphenyl)-N1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]phthalamide CAS Name: N2-(3-carbamimidoylphenyl)-N1-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]benzene-1,2-dicarboxamide IUPAC Name: 2-N-(3-carbamimidoylphenyl)-1-N-[2-fluoro-4-(2-methylsulfonylphenyl)phenyl]benzene-1,2-dicarboxamide Traditional Name: N'-(3-amidinophenyl)-N-[2-fluoro-4-(2-mesylphenyl)phenyl]phthalamide Formula: C28H23FN4O4S MolecularWeight: 530.570023

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C(=N)N)F

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC(=C(C=C2)NC(=O)C3=CC=CC=C3C(=O)NC4=CC=CC(=C4)C(=N)N)F

InChI

InChI=1S/C28H23FN4O4S/c1-38(36,37)25-12-5-4-9-20(25)17-13-14-24(23(29)16-17)33-28(35)22-11-3-2-10-21(22)27(34)32-19-8-6-7-18(15-19)26(30)31/h2-16H,1H3,(H3,30,31)(H,32,34)(H,33,35)