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

Systemtic Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 2-sulfamoylethanoate dihydrochloride Openeye Name: [(E)-3-(3-carbamimidoylphenyl)allyl] 2-sulfamoylacetate dihydrochloride CAS Name: 2-sulfamoylacetic acid [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] ester dihydrochloride IUPAC Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 2-sulfamoylacetate dihydrochloride Traditional Name: 2-sulfamoylacetic acid [(E)-3-(3-amidinophenyl)allyl] ester dihydrochloride Formula: C12H17Cl2N3O4S MolecularWeight: 370.25208

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S.2ClH/c13-12(14)10-5-1-3-9(7-10)4-2-6-19-11(16)8-20(15,17)18;;/h1-5,7H,6,8H2,(H3,13,14)(H2,15,17,18);2*1H/b4-2+;;