[(E)-3-(3-carbamimidoyl-4-fluoranyl-phenyl)prop-2-enyl] 2-sulfamoylethanoate dihydrochloride

Systemtic Name: [(E)-3-(3-carbamimidoyl-4-fluoranyl-phenyl)prop-2-enyl] 2-sulfamoylethanoate dihydrochloride Openeye Name: [(E)-3-(3-carbamimidoyl-4-fluoro-phenyl)allyl] 2-sulfamoylacetate dihydrochloride CAS Name: 2-sulfamoylacetic acid [(E)-3-(3-carbamimidoyl-4-fluorophenyl)prop-2-enyl] ester dihydrochloride IUPAC Name: [(E)-3-(3-carbamimidoyl-4-fluorophenyl)prop-2-enyl] 2-sulfamoylacetate dihydrochloride Traditional Name: 2-sulfamoylacetic acid [(E)-3-(3-amidino-4-fluoro-phenyl)allyl] ester dihydrochloride Formula: C12H16Cl2FN3O4S MolecularWeight: 388.242543

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1C=CCOC(=O)CS(=O)(=O)N)C(=N)N)F.Cl.Cl

Isomeric SMILES

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

InChI

InChI=1S/C12H14FN3O4S.2ClH/c13-10-4-3-8(6-9(10)12(14)15)2-1-5-20-11(17)7-21(16,18)19;;/h1-4,6H,5,7H2,(H3,14,15)(H2,16,18,19);2*1H/b2-1+;;