5-azanyl-2-[(4-azanyl-2-sulfo-phenyl)carbamoylamino]benzenesulfonic acid

Systemtic Name: 5-azanyl-2-[(4-azanyl-2-sulfo-phenyl)carbamoylamino]benzenesulfonic acid Openeye Name: 5-amino-2-[(4-amino-2-sulfo-phenyl)carbamoylamino]benzenesulfonic acid CAS Name: 5-amino-2-[[(4-amino-2-sulfoanilino)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 5-amino-2-[(4-amino-2-sulfophenyl)carbamoylamino]benzenesulfonic acid Traditional Name: 5-amino-2-[(4-amino-2-sulfo-phenyl)carbamoylamino]besylic acid Formula: C13H14N4O7S2 MolecularWeight: 402.40286

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1N)S(=O)(=O)O)NC(=O)NC2=C(C=C(C=C2)N)S(=O)(=O)O

Isomeric SMILES

C1=CC(=C(C=C1N)S(=O)(=O)O)NC(=O)NC2=C(C=C(C=C2)N)S(=O)(=O)O

InChI

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