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

Systemtic Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]pentanamide Openeye Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]pentanamide CAS Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]pentanamide IUPAC Name: 2-(3-carbamimidoylphenoxy)-4-methyl-N-[[4-(2-sulfamoylphenyl)phenyl]methyl]pentanamide Traditional Name: 2-(3-amidinophenoxy)-4-methyl-N-[4-(2-sulfamoylphenyl)benzyl]valeramide Formula: C26H30N4O4S MolecularWeight: 494.6058

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)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)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/C26H30N4O4S/c1-17(2)14-23(34-21-7-5-6-20(15-21)25(27)28)26(31)30-16-18-10-12-19(13-11-18)22-8-3-4-9-24(22)35(29,32)33/h3-13,15,17,23H,14,16H2,1-2H3,(H3,27,28)(H,30,31)(H2,29,32,33)