5-[aminocarbonyl-(4-azanyl-3-sulfo-phenyl)amino]-2-azanyl-benzenesulfonic acid

Systemtic Name: 5-[aminocarbonyl-(4-azanyl-3-sulfo-phenyl)amino]-2-azanyl-benzenesulfonic acid Openeye Name: 2-amino-5-(4-amino-N-carbamoyl-3-sulfo-anilino)benzenesulfonic acid CAS Name: 2-amino-5-(4-amino-N-carbamoyl-3-sulfoanilino)benzenesulfonic acid IUPAC Name: 2-amino-5-(4-amino-N-carbamoyl-3-sulfoanilino)benzenesulfonic acid Traditional Name: 2-amino-5-(4-amino-N-carbamoyl-3-sulfo-anilino)besylic acid Formula: C13H14N4O7S2 MolecularWeight: 402.40286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N(C2=CC(=C(C=C2)N)S(=O)(=O)O)C(=O)N)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1N(C2=CC(=C(C=C2)N)S(=O)(=O)O)C(=O)N)S(=O)(=O)O)N

InChI

InChI=1S/C13H14N4O7S2/c14-9-3-1-7(5-11(9)25(19,20)21)17(13(16)18)8-2-4-10(15)12(6-8)26(22,23)24/h1-6H,14-15H2,(H2,16,18)(H,19,20,21)(H,22,23,24)