5-(2-azanyl-2-oxidanylidene-ethyl)-3-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide

Systemtic Name: 5-(2-azanyl-2-oxidanylidene-ethyl)-3-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 5-(2-amino-2-oxo-ethyl)-3-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide CAS Name: 5-(2-amino-2-oxoethyl)-3-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide IUPAC Name: 5-(2-amino-2-oxoethyl)-3-(3-carbamimidoylphenyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-(2-amino-2-keto-ethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-2-isoxazoline-5-carboxamide Formula: C25H24N6O5S MolecularWeight: 520.56026

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CC(=O)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

C1C(=NOC1(CC(=O)N)C(=O)NC2=CC=C(C=C2)C3=CC=CC=C3S(=O)(=O)N)C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C25H24N6O5S/c26-22(32)14-25(13-20(31-36-25)16-4-3-5-17(12-16)23(27)28)24(33)30-18-10-8-15(9-11-18)19-6-1-2-7-21(19)37(29,34)35/h1-12H,13-14H2,(H2,26,32)(H3,27,28)(H,30,33)(H2,29,34,35)