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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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