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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfonylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfonylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfonylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(ethylsulfonylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-(esylmethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-2-isoxazoline-5-carboxamide Formula: C26H27N5O6S2 MolecularWeight: 569.65248

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N5O6S2/c1-2-38(33,34)16-26(15-22(31-37-26)18-6-5-7-19(14-18)24(27)28)25(32)30-20-12-10-17(11-13-20)21-8-3-4-9-23(21)39(29,35)36/h3-14H,2,15-16H2,1H3,(H3,27,28)(H,30,32)(H2,29,35,36)