3-(3-carbamimidoylphenyl)-N-[2-(2-methylsulfonylphenyl)phenyl]-1,2-oxazole-4-carboxamide

Systemtic Name: 3-(3-carbamimidoylphenyl)-N-[2-(2-methylsulfonylphenyl)phenyl]-1,2-oxazole-4-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-N-[2-(2-methylsulfonylphenyl)phenyl]isoxazole-4-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-N-[2-(2-methylsulfonylphenyl)phenyl]-4-isoxazolecarboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-N-[2-(2-methylsulfonylphenyl)phenyl]-1,2-oxazole-4-carboxamide Traditional Name: 3-(3-amidinophenyl)-N-[2-(2-mesylphenyl)phenyl]isoxazole-4-carboxamide Formula: C24H20N4O4S MolecularWeight: 460.505

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC=C1C2=CC=CC=C2NC(=O)C3=CON=C3C4=CC(=CC=C4)C(=N)N

Isomeric SMILES

CS(=O)(=O)C1=CC=CC=C1C2=CC=CC=C2NC(=O)C3=CON=C3C4=CC(=CC=C4)C(=N)N

InChI

InChI=1S/C24H20N4O4S/c1-33(30,31)21-12-5-3-10-18(21)17-9-2-4-11-20(17)27-24(29)19-14-32-28-22(19)15-7-6-8-16(13-15)23(25)26/h2-14H,1H3,(H3,25,26)(H,27,29)