(E)-5-(3-carbamimidoyl-5-methyl-phenyl)-2-sulfamoyl-pent-4-enoic acid

Systemtic Name: (E)-5-(3-carbamimidoyl-5-methyl-phenyl)-2-sulfamoyl-pent-4-enoic acid Openeye Name: (E)-5-(3-carbamimidoyl-5-methyl-phenyl)-2-sulfamoyl-pent-4-enoic acid CAS Name: (E)-5-(3-carbamimidoyl-5-methylphenyl)-2-sulfamoyl-4-pentenoic acid IUPAC Name: (E)-5-(3-carbamimidoyl-5-methylphenyl)-2-sulfamoylpent-4-enoic acid Traditional Name: (E)-5-(3-amidino-5-methyl-phenyl)-2-sulfamoyl-pent-4-enoic acid Formula: C13H17N3O4S MolecularWeight: 311.35678

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)C(=N)N)C=CCC(C(=O)O)S(=O)(=O)N

Isomeric SMILES

CC1=CC(=CC(=C1)C(=N)N)/C=C/CC(C(=O)O)S(=O)(=O)N

InChI

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