methyl 2-[2-(3-carbamimidoylphenoxy)ethyl-[4-(2-sulfamoylphenyl)phenyl]carbonyl-amino]ethanoate

Systemtic Name: methyl 2-[2-(3-carbamimidoylphenoxy)ethyl-[4-(2-sulfamoylphenyl)phenyl]carbonyl-amino]ethanoate Openeye Name: methyl 2-[2-(3-carbamimidoylphenoxy)ethyl-[4-(2-sulfamoylphenyl)benzoyl]amino]acetate CAS Name: 2-[2-(3-carbamimidoylphenoxy)ethyl-[oxo-[4-(2-sulfamoylphenyl)phenyl]methyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[2-(3-carbamimidoylphenoxy)ethyl-[4-(2-sulfamoylphenyl)benzoyl]amino]acetate Traditional Name: 2-[2-(3-amidinophenoxy)ethyl-[4-(2-sulfamoylphenyl)benzoyl]amino]acetic acid methyl ester Formula: C25H26N4O6S MolecularWeight: 510.56214

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CN(CCOC1=CC=CC(=C1)C(=N)N)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N

Isomeric SMILES

COC(=O)CN(CCOC1=CC=CC(=C1)C(=N)N)C(=O)C2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N

InChI

InChI=1S/C25H26N4O6S/c1-34-23(30)16-29(13-14-35-20-6-4-5-19(15-20)24(26)27)25(31)18-11-9-17(10-12-18)21-7-2-3-8-22(21)36(28,32)33/h2-12,15H,13-14,16H2,1H3,(H3,26,27)(H2,28,32,33)