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

Systemtic Name: 2-(3-carbamimidoylphenoxy)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]propanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]propanamide CAS Name: 2-(3-carbamimidoylphenoxy)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]propanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]propanamide Traditional Name: 2-(3-amidinophenoxy)-N-[4-(2-sulfamoylphenyl)benzyl]propionamide Formula: C23H24N4O4S MolecularWeight: 452.52606

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)OC3=CC=CC(=C3)C(=N)N

Isomeric SMILES

CC(C(=O)NCC1=CC=C(C=C1)C2=CC=CC=C2S(=O)(=O)N)OC3=CC=CC(=C3)C(=N)N

InChI

InChI=1S/C23H24N4O4S/c1-15(31-19-6-4-5-18(13-19)22(24)25)23(28)27-14-16-9-11-17(12-10-16)20-7-2-3-8-21(20)32(26,29)30/h2-13,15H,14H2,1H3,(H3,24,25)(H,27,28)(H2,26,29,30)