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

Systemtic Name: 3-(3-carbamimidoylphenyl)-N-[2-fluoranyl-4-(2-sulfamoylphenyl)phenyl]-5-(1,2,3,4-tetrazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxamide Openeye Name: 3-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(tetrazol-1-ylmethyl)-4H-isoxazole-5-carboxamide CAS Name: 3-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(1-tetrazolylmethyl)-4H-isoxazole-5-carboxamide IUPAC Name: 3-(3-carbamimidoylphenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(tetrazol-1-ylmethyl)-4H-1,2-oxazole-5-carboxamide Traditional Name: 3-(3-amidinophenyl)-N-[2-fluoro-4-(2-sulfamoylphenyl)phenyl]-5-(tetrazol-1-ylmethyl)-2-isoxazoline-5-carboxamide Formula: C25H22FN9O4S MolecularWeight: 563.563483

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=NOC1(CN2C=NN=N2)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)F)C5=CC(=CC=C5)C(=N)N

Isomeric SMILES

C1C(=NOC1(CN2C=NN=N2)C(=O)NC3=C(C=C(C=C3)C4=CC=CC=C4S(=O)(=O)N)F)C5=CC(=CC=C5)C(=N)N

InChI

InChI=1S/C25H22FN9O4S/c26-19-11-15(18-6-1-2-7-22(18)40(29,37)38)8-9-20(19)31-24(36)25(13-35-14-30-33-34-35)12-21(32-39-25)16-4-3-5-17(10-16)23(27)28/h1-11,14H,12-13H2,(H3,27,28)(H,31,36)(H2,29,37,38)