(E)-5-(3-carbamimidoylphenyl)-4-fluoranyl-2-sulfamoyl-pent-4-enoic acid

Systemtic Name: (E)-5-(3-carbamimidoylphenyl)-4-fluoranyl-2-sulfamoyl-pent-4-enoic acid Openeye Name: (E)-5-(3-carbamimidoylphenyl)-4-fluoro-2-sulfamoyl-pent-4-enoic acid CAS Name: (E)-5-(3-carbamimidoylphenyl)-4-fluoro-2-sulfamoyl-4-pentenoic acid IUPAC Name: (E)-5-(3-carbamimidoylphenyl)-4-fluoro-2-sulfamoylpent-4-enoic acid Traditional Name: (E)-5-(3-amidinophenyl)-4-fluoro-2-sulfamoyl-pent-4-enoic acid Formula: C12H14FN3O4S MolecularWeight: 315.320663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C=C(CC(C(=O)O)S(=O)(=O)N)F

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)/C=C(\CC(C(=O)O)S(=O)(=O)N)/F

InChI

InChI=1S/C12H14FN3O4S/c13-9(6-10(12(17)18)21(16,19)20)5-7-2-1-3-8(4-7)11(14)15/h1-5,10H,6H2,(H3,14,15)(H,17,18)(H2,16,19,20)/b9-5+