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

Systemtic Name: 5-(2-azanyl-2-oxidanylidene-ethyl)-3-(3-carbamimidoylphenyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 5-(2-amino-2-oxo-ethyl)-3-(3-carbamimidoylphenyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide CAS Name: 5-(2-amino-2-oxoethyl)-3-(3-carbamimidoylphenyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide IUPAC Name: 5-(2-amino-2-oxoethyl)-3-(3-carbamimidoylphenyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-(2-amino-2-keto-ethyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-2-isoxazoline-5-carboxamide Formula: C26H26N6O5S MolecularWeight: 534.58684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C2=CC=CC=C2S(=O)(=O)N)NC(=O)C3(CC(=NO3)C4=CC(=CC=C4)C(=N)N)CC(=O)N

Isomeric SMILES

CC1=C(C=CC(=C1)C2=CC=CC=C2S(=O)(=O)N)NC(=O)C3(CC(=NO3)C4=CC(=CC=C4)C(=N)N)CC(=O)N

InChI

InChI=1S/C26H26N6O5S/c1-15-11-16(19-7-2-3-8-22(19)38(30,35)36)9-10-20(15)31-25(34)26(14-23(27)33)13-21(32-37-26)17-5-4-6-18(12-17)24(28)29/h2-12H,13-14H2,1H3,(H2,27,33)(H3,28,29)(H,31,34)(H2,30,35,36)