5-[(4-aminophenyl)-(sulfocarbamoyl)amino]-2-azanyl-benzenesulfonic acid

Systemtic Name: 5-[(4-aminophenyl)-(sulfocarbamoyl)amino]-2-azanyl-benzenesulfonic acid Openeye Name: 2-amino-5-[4-amino-N-(sulfocarbamoyl)anilino]benzenesulfonic acid CAS Name: 2-amino-5-(4-amino-N-[oxo-(sulfoamino)methyl]anilino)benzenesulfonic acid IUPAC Name: 2-amino-5-[4-amino-N-(sulfocarbamoyl)anilino]benzenesulfonic acid Traditional Name: 2-amino-5-[4-amino-N-(sulfocarbamoyl)anilino]besylic acid Formula: C13H14N4O7S2 MolecularWeight: 402.40286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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