3-(3-carbamimidoylphenyl)-5-(imidazol-1-ylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(imidazol-1-ylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-(imidazol-1-ylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-5-(1-imidazolylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(imidazol-1-ylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-(imidazol-1-ylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-2-isoxazoline-5-carboxamide Formula: C27H25N7O4S MolecularWeight: 543.5969

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CN2C=CN=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)C5=CC(=CC=C5)C(=N)N

Isomeric SMILES

C1C(=NOC1(CN2C=CN=C2)C(=O)NC3=CC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)C5=CC(=CC=C5)C(=N)N

InChI

InChI=1S/C27H25N7O4S/c28-25(29)20-5-3-4-19(14-20)23-15-27(38-33-23,16-34-13-12-31-17-34)26(35)32-21-10-8-18(9-11-21)22-6-1-2-7-24(22)39(30,36)37/h1-14,17H,15-16H2,(H3,28,29)(H,32,35)(H2,30,36,37)