[(E)-3-(3-carbamimidoyl-5-methyl-phenyl)prop-2-enyl] 2-sulfamoylethanoate

Systemtic Name: [(E)-3-(3-carbamimidoyl-5-methyl-phenyl)prop-2-enyl] 2-sulfamoylethanoate Openeye Name: [(E)-3-(3-carbamimidoyl-5-methyl-phenyl)allyl] 2-sulfamoylacetate CAS Name: 2-sulfamoylacetic acid [(E)-3-(3-carbamimidoyl-5-methylphenyl)prop-2-enyl] ester IUPAC Name: [(E)-3-(3-carbamimidoyl-5-methylphenyl)prop-2-enyl] 2-sulfamoylacetate Traditional Name: 2-sulfamoylacetic acid [(E)-3-(3-amidino-5-methyl-phenyl)allyl] ester Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=N)N)C=CCOC(=O)CS(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=N)N)/C=C/COC(=O)CS(=O)(=O)N

InChI

InChI=1S/C13H17N3O4S/c1-9-5-10(7-11(6-9)13(14)15)3-2-4-20-12(17)8-21(16,18)19/h2-3,5-7H,4,8H2,1H3,(H3,14,15)(H2,16,18,19)/b3-2+