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

Systemtic Name: N2-(3-carbamimidoylphenyl)-N1-[4-(2-methylsulfonylphenyl)phenyl]benzene-1,2-dicarboxamide Openeye Name: N2-(3-carbamimidoylphenyl)-N1-[4-(2-methylsulfonylphenyl)phenyl]phthalamide CAS Name: N2-(3-carbamimidoylphenyl)-N1-[4-(2-methylsulfonylphenyl)phenyl]benzene-1,2-dicarboxamide IUPAC Name: 2-N-(3-carbamimidoylphenyl)-1-N-[4-(2-methylsulfonylphenyl)phenyl]benzene-1,2-dicarboxamide Traditional Name: N'-(3-amidinophenyl)-N-[4-(2-mesylphenyl)phenyl]phthalamide Formula: C28H24N4O4S MolecularWeight: 512.57956

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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

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

InChI

InChI=1S/C28H24N4O4S/c1-37(35,36)25-12-5-4-9-22(25)18-13-15-20(16-14-18)31-27(33)23-10-2-3-11-24(23)28(34)32-21-8-6-7-19(17-21)26(29)30/h2-17H,1H3,(H3,29,30)(H,31,33)(H,32,34)