3-(4-carbamimidoylphenyl)-N-[3-(2-sulfamoylphenyl)phenyl]propanamide

Systemtic Name: 3-(4-carbamimidoylphenyl)-N-[3-(2-sulfamoylphenyl)phenyl]propanamide Openeye Name: 3-(4-carbamimidoylphenyl)-N-[3-(2-sulfamoylphenyl)phenyl]propanamide CAS Name: 3-(4-carbamimidoylphenyl)-N-[3-(2-sulfamoylphenyl)phenyl]propanamide IUPAC Name: 3-(4-carbamimidoylphenyl)-N-[3-(2-sulfamoylphenyl)phenyl]propanamide Traditional Name: 3-(4-amidinophenyl)-N-[3-(2-sulfamoylphenyl)phenyl]propionamide Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC(=CC=C2)NC(=O)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC(=CC=C2)NC(=O)CCC3=CC=C(C=C3)C(=N)N)S(=O)(=O)N

InChI

InChI=1S/C22H22N4O3S/c23-22(24)16-11-8-15(9-12-16)10-13-21(27)26-18-5-3-4-17(14-18)19-6-1-2-7-20(19)30(25,28)29/h1-9,11-12,14H,10,13H2,(H3,23,24)(H,26,27)(H2,25,28,29)