2-[(3-carbamimidoylphenyl)amino]-N'-[4-(2-sulfamoylphenyl)phenyl]propanediamide

Systemtic Name: 2-[(3-carbamimidoylphenyl)amino]-N'-[4-(2-sulfamoylphenyl)phenyl]propanediamide Openeye Name: 2-(3-carbamimidoylanilino)-N'-[4-(2-sulfamoylphenyl)phenyl]propanediamide CAS Name: 2-(3-carbamimidoylanilino)-N'-[4-(2-sulfamoylphenyl)phenyl]propanediamide IUPAC Name: 2-(3-carbamimidoylanilino)-N'-[4-(2-sulfamoylphenyl)phenyl]propanediamide Traditional Name: 2-(3-amidinoanilino)-N'-[4-(2-sulfamoylphenyl)phenyl]malonamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C(C(=O)N)NC3=CC=CC(=C3)C(=N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C(C(=O)N)NC3=CC=CC(=C3)C(=N)N)S(=O)(=O)N

InChI

InChI=1S/C22H22N6O4S/c23-20(24)14-4-3-5-16(12-14)27-19(21(25)29)22(30)28-15-10-8-13(9-11-15)17-6-1-2-7-18(17)33(26,31)32/h1-12,19,27H,(H3,23,24)(H2,25,29)(H,28,30)(H2,26,31,32)