4-[(2-aminophenyl)carbonylamino]-2-azanyl-benzenesulfonic acid; 5-[(2-aminophenyl)carbonylamino]-2-azanyl-benzenesulfonic acid

Systemtic Name: 4-[(2-aminophenyl)carbonylamino]-2-azanyl-benzenesulfonic acid; 5-[(2-aminophenyl)carbonylamino]-2-azanyl-benzenesulfonic acid Openeye Name: 2-amino-4-[(2-aminobenzoyl)amino]benzenesulfonic acid; 2-amino-5-[(2-aminobenzoyl)amino]benzenesulfonic acid CAS Name: 2-amino-4-[[(2-aminophenyl)-oxomethyl]amino]benzenesulfonic acid; 2-amino-5-[[(2-aminophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 2-amino-4-[(2-aminobenzoyl)amino]benzenesulfonic acid; 2-amino-5-[(2-aminobenzoyl)amino]benzenesulfonic acid Traditional Name: 2-amino-4-(anthraniloylamino)besylic acid; 2-amino-5-(anthraniloylamino)besylic acid Formula: C26H26N6O8S2 MolecularWeight: 614.65004

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/2C13H13N3O4S/c14-10-4-2-1-3-9(10)13(17)16-8-5-6-12(11(15)7-8)21(18,19)20;14-10-4-2-1-3-9(10)13(17)16-8-5-6-11(15)12(7-8)21(18,19)20/h2*1-7H,14-15H2,(H,16,17)(H,18,19,20)