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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(hydroxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-(hydroxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]isoxazole-4-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-5-(hydroxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4-isoxazolecarboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(hydroxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-methylol-N-[4-(2-sulfamoylphenyl)phenyl]isoxazole-4-carboxamide Formula: C24H21N5O5S MolecularWeight: 491.51904

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C3=C(ON=C3C4=CC(=CC=C4)C(=N)N)CO)S(=O)(=O)N

Isomeric SMILES

C1=CC=C(C(=C1)C2=CC=C(C=C2)NC(=O)C3=C(ON=C3C4=CC(=CC=C4)C(=N)N)CO)S(=O)(=O)N

InChI

InChI=1S/C24H21N5O5S/c25-23(26)16-5-3-4-15(12-16)22-21(19(13-30)34-29-22)24(31)28-17-10-8-14(9-11-17)18-6-1-2-7-20(18)35(27,32)33/h1-12,30H,13H2,(H3,25,26)(H,28,31)(H2,27,32,33)