3-(pyridin-4-ylcarbonylamino)benzenesulfonate

Systemtic Name: 3-(pyridin-4-ylcarbonylamino)benzenesulfonate Openeye Name: 3-(pyridine-4-carbonylamino)benzenesulfonate CAS Name: 3-[[oxo(pyridin-4-yl)methyl]amino]benzenesulfonate IUPAC Name: 3-(pyridine-4-carbonylamino)benzenesulfonate Traditional Name: 3-isonicotinamidobesylate Formula: C12H9N2O4S- MolecularWeight: 277.27586

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC(=O)C2=CC=NC=C2

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)[O-])NC(=O)C2=CC=NC=C2

InChI

InChI=1S/C12H10N2O4S/c15-12(9-4-6-13-7-5-9)14-10-2-1-3-11(8-10)19(16,17)18/h1-8H,(H,14,15)(H,16,17,18)/p-1