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

Systemtic Name: 3-(3-carbamimidoylphenyl)-5-(3-methylbutoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-5-(isopentyloxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-5-(3-methylbutoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-isoxazole-5-carboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-5-(3-methylbutoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-5-(isoamoxymethyl)-N-[4-(2-sulfamoylphenyl)phenyl]-2-isoxazoline-5-carboxamide Formula: C29H33N5O5S MolecularWeight: 563.66782

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCOCC1(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

CC(C)CCOCC1(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/C29H33N5O5S/c1-19(2)14-15-38-18-29(17-25(34-39-29)21-6-5-7-22(16-21)27(30)31)28(35)33-23-12-10-20(11-13-23)24-8-3-4-9-26(24)40(32,36)37/h3-13,16,19H,14-15,17-18H2,1-2H3,(H3,30,31)(H,33,35)(H2,32,36,37)