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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)NC2=CC(=C(C=C2)N)S(=O)(=O)O)S(=O)(=O)O)N

InChI

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