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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCOCC1(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

CCCOCC1(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/C27H29N5O5S/c1-2-14-36-17-27(16-23(32-37-27)19-6-5-7-20(15-19)25(28)29)26(33)31-21-12-10-18(11-13-21)22-8-3-4-9-24(22)38(30,34)35/h3-13,15H,2,14,16-17H2,1H3,(H3,28,29)(H,31,33)(H2,30,34,35)