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

Systemtic Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 2-sulfamoylethanoate hydrochloride Openeye Name: [(E)-3-(3-carbamimidoylphenyl)allyl] 2-sulfamoylacetate hydrochloride CAS Name: 2-sulfamoylacetic acid [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] ester hydrochloride IUPAC Name: [(E)-3-(3-carbamimidoylphenyl)prop-2-enyl] 2-sulfamoylacetate hydrochloride Traditional Name: 2-sulfamoylacetic acid [(E)-3-(3-amidinophenyl)allyl] ester hydrochloride Formula: C12H16ClN3O4S MolecularWeight: 333.79114

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4S.ClH/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);1H/b4-2+;