sodium 4-[(4-aminophenyl)carbonylamino]-2-azanyl-benzenesulfonate

Systemtic Name: sodium 4-[(4-aminophenyl)carbonylamino]-2-azanyl-benzenesulfonate Openeye Name: sodium 2-amino-4-[(4-aminobenzoyl)amino]benzenesulfonate CAS Name: sodium 2-amino-4-[[(4-aminophenyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 2-amino-4-[(4-aminobenzoyl)amino]benzenesulfonate Traditional Name: sodium 2-amino-4-[(4-aminobenzoyl)amino]besylate Formula: C13H12N3NaO4S MolecularWeight: 329.30685

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)S(=O)(=O)[O-])N)N.[Na+]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=CC(=C(C=C2)S(=O)(=O)[O-])N)N.[Na+]

InChI

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