3-(3-carbamimidoylphenyl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]-4H-1,2-oxazole-5-carboxamide

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridyl]-4H-isoxazole-5-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridinyl]-4H-isoxazole-5-carboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-methyl-N-[5-(2-sulfamoylphenyl)pyridin-2-yl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-methyl-N-[5-(2-sulfamoylphenyl)-2-pyridyl]-2-isoxazoline-5-carboxamide Formula: C23H22N6O4S MolecularWeight: 478.52358

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=NC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

Isomeric SMILES

CC1(CC(=NO1)C2=CC(=CC=C2)C(=N)N)C(=O)NC3=NC=C(C=C3)C4=CC=CC=C4S(=O)(=O)N

InChI

InChI=1S/C23H22N6O4S/c1-23(12-18(29-33-23)14-5-4-6-15(11-14)21(24)25)22(30)28-20-10-9-16(13-27-20)17-7-2-3-8-19(17)34(26,31)32/h2-11,13H,12H2,1H3,(H3,24,25)(H2,26,31,32)(H,27,28,30)