[(E)-3-(3-carbamimidoylphenyl)-2-fluoranyl-prop-2-enyl] 2-sulfamoylethanoate

Systemtic Name: [(E)-3-(3-carbamimidoylphenyl)-2-fluoranyl-prop-2-enyl] 2-sulfamoylethanoate Openeye Name: [(E)-3-(3-carbamimidoylphenyl)-2-fluoro-allyl] 2-sulfamoylacetate CAS Name: 2-sulfamoylacetic acid [(E)-3-(3-carbamimidoylphenyl)-2-fluoroprop-2-enyl] ester IUPAC Name: [(E)-3-(3-carbamimidoylphenyl)-2-fluoroprop-2-enyl] 2-sulfamoylacetate Traditional Name: 2-sulfamoylacetic acid [(E)-3-(3-amidinophenyl)-2-fluoro-allyl] ester Formula: C12H14FN3O4S MolecularWeight: 315.320663

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)C(=N)N)C=C(COC(=O)CS(=O)(=O)N)F

Isomeric SMILES

C1=CC(=CC(=C1)C(=N)N)/C=C(\COC(=O)CS(=O)(=O)N)/F

InChI

InChI=1S/C12H14FN3O4S/c13-10(6-20-11(17)7-21(16,18)19)5-8-2-1-3-9(4-8)12(14)15/h1-5H,6-7H2,(H3,14,15)(H2,16,18,19)/b10-5+