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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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