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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(2-methoxyethyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-(2-methoxyethyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-5-(2-methoxyethyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(2-methoxyethyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-(2-methoxyethyl)-N-[2-methyl-4-(2-sulfamoylphenyl)phenyl]-2-isoxazoline-5-carboxamide Formula: C27H29N5O5S MolecularWeight: 535.61466

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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)CCOC

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)CCOC

InChI

InChI=1S/C27H29N5O5S/c1-17-14-18(21-8-3-4-9-24(21)38(30,34)35)10-11-22(17)31-26(33)27(12-13-36-2)16-23(32-37-27)19-6-5-7-20(15-19)25(28)29/h3-11,14-15H,12-13,16H2,1-2H3,(H3,28,29)(H,31,33)(H2,30,34,35)