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

Systemtic Name: [(E)-3-(3-carbamimidoylphenyl)-2-fluoranyl-prop-2-enyl] 2-sulfamoylethanoate dihydrochloride Openeye Name: [(E)-3-(3-carbamimidoylphenyl)-2-fluoro-allyl] 2-sulfamoylacetate dihydrochloride CAS Name: 2-sulfamoylacetic acid [(E)-3-(3-carbamimidoylphenyl)-2-fluoroprop-2-enyl] ester dihydrochloride IUPAC Name: [(E)-3-(3-carbamimidoylphenyl)-2-fluoroprop-2-enyl] 2-sulfamoylacetate dihydrochloride Traditional Name: 2-sulfamoylacetic acid [(E)-3-(3-amidinophenyl)-2-fluoro-allyl] ester dihydrochloride Formula: C12H16Cl2FN3O4S MolecularWeight: 388.242543

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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.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3O4S.2ClH/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);2*1H/b10-5+;;