4-[(3-carbamimidoylphenyl)carbamoylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide

Systemtic Name: 4-[(3-carbamimidoylphenyl)carbamoylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide Openeye Name: 4-[(3-carbamimidoylphenyl)carbamoylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide CAS Name: 4-[[(3-carbamimidoylanilino)-oxomethyl]amino]-N-[(4-sulfamoylphenyl)methyl]benzamide IUPAC Name: 4-[(3-carbamimidoylphenyl)carbamoylamino]-N-[(4-sulfamoylphenyl)methyl]benzamide Traditional Name: 4-[(3-amidinophenyl)carbamoylamino]-N-(4-sulfamoylbenzyl)benzamide Formula: C22H22N6O4S MolecularWeight: 466.51288

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C(=N)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)NC2=CC=C(C=C2)C(=O)NCC3=CC=C(C=C3)S(=O)(=O)N)C(=N)N

InChI

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