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

Systemtic Name: 2-[(4-aminophenyl)carbonylamino]-5-azanyl-benzenesulfonic acid Openeye Name: 5-amino-2-[(4-aminobenzoyl)amino]benzenesulfonic acid CAS Name: 5-amino-2-[[(4-aminophenyl)-oxomethyl]amino]benzenesulfonic acid IUPAC Name: 5-amino-2-[(4-aminobenzoyl)amino]benzenesulfonic acid Traditional Name: 5-amino-2-[(4-aminobenzoyl)amino]besylic acid Formula: C13H13N3O4S MolecularWeight: 307.32502

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)N)S(=O)(=O)O)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=C(C=C(C=C2)N)S(=O)(=O)O)N

InChI

InChI=1S/C13H13N3O4S/c14-9-3-1-8(2-4-9)13(17)16-11-6-5-10(15)7-12(11)21(18,19)20/h1-7H,14-15H2,(H,16,17)(H,18,19,20)