sodium 4-[(6-bromanylpyridin-3-yl)carbonylamino]benzenesulfonate

Systemtic Name: sodium 4-[(6-bromanylpyridin-3-yl)carbonylamino]benzenesulfonate Openeye Name: sodium 4-[(6-bromopyridine-3-carbonyl)amino]benzenesulfonate CAS Name: sodium 4-[[(6-bromo-3-pyridinyl)-oxomethyl]amino]benzenesulfonate IUPAC Name: sodium 4-[(6-bromopyridine-3-carbonyl)amino]benzenesulfonate Traditional Name: sodium 4-[(6-bromonicotinoyl)amino]besylate Formula: C12H8BrN2NaO4S MolecularWeight: 379.16169

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)Br)S(=O)(=O)[O-].[Na+]

Isomeric SMILES

C1=CC(=CC=C1NC(=O)C2=CN=C(C=C2)Br)S(=O)(=O)[O-].[Na+]

InChI

InChI=1S/C12H9BrN2O4S.Na/c13-11-6-1-8(7-14-11)12(16)15-9-2-4-10(5-3-9)20(17,18)19;/h1-7H,(H,15,16)(H,17,18,19);/q;+1/p-1