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

Systemtic Name: 2-(3-carbamimidoylphenoxy)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]pentanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]pentanamide CAS Name: 2-(3-carbamimidoylphenoxy)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]pentanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]pentanamide Traditional Name: 2-(3-amidinophenoxy)-N-[4-(2-sulfamoylphenyl)benzyl]valeramide Formula: C25H28N4O4S MolecularWeight: 480.57922

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H28N4O4S/c1-2-6-22(33-20-8-5-7-19(15-20)24(26)27)25(30)29-16-17-11-13-18(14-12-17)21-9-3-4-10-23(21)34(28,31)32/h3-5,7-15,22H,2,6,16H2,1H3,(H3,26,27)(H,29,30)(H2,28,31,32)