5-[carbamimidoyl-(4-oxidanyl-4-oxidanylidene-butyl)sulfamoyl]-2,4-bis(chloranyl)benzoic acid

Systemtic Name: 5-[carbamimidoyl-(4-oxidanyl-4-oxidanylidene-butyl)sulfamoyl]-2,4-bis(chloranyl)benzoic acid Openeye Name: 5-[carbamimidoyl-(4-hydroxy-4-oxo-butyl)sulfamoyl]-2,4-dichloro-benzoic acid CAS Name: 5-[carbamimidoyl-(4-hydroxy-4-oxobutyl)sulfamoyl]-2,4-dichlorobenzoic acid IUPAC Name: 5-[carbamimidoyl-(4-hydroxy-4-oxobutyl)sulfamoyl]-2,4-dichlorobenzoic acid Traditional Name: 5-[amidino-(4-hydroxy-4-keto-butyl)sulfamoyl]-2,4-dichloro-benzoic acid Formula: C12H13Cl2N3O6S MolecularWeight: 398.21912

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Descriptors Computed from Structure

Canonical SMILES:

C1=C(C(=CC(=C1S(=O)(=O)N(CCCC(=O)O)C(=N)N)Cl)Cl)C(=O)O

Isomeric SMILES

C1=C(C(=CC(=C1S(=O)(=O)N(CCCC(=O)O)C(=N)N)Cl)Cl)C(=O)O

InChI

InChI=1S/C12H13Cl2N3O6S/c13-7-5-8(14)9(4-6(7)11(20)21)24(22,23)17(12(15)16)3-1-2-10(18)19/h4-5H,1-3H2,(H3,15,16)(H,18,19)(H,20,21)