(E)-5-(3-carbamimidoylphenyl)-2-sulfamoyl-pent-4-enoic acid

Systemtic Name: (E)-5-(3-carbamimidoylphenyl)-2-sulfamoyl-pent-4-enoic acid Openeye Name: (E)-5-(3-carbamimidoylphenyl)-2-sulfamoyl-pent-4-enoic acid CAS Name: (E)-5-(3-carbamimidoylphenyl)-2-sulfamoyl-4-pentenoic acid IUPAC Name: (E)-5-(3-carbamimidoylphenyl)-2-sulfamoylpent-4-enoic acid Traditional Name: (E)-5-(3-amidinophenyl)-2-sulfamoyl-pent-4-enoic acid Formula: C12H15N3O4S MolecularWeight: 297.3302

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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