(2-acetamidophenyl) 6-chloranylpyridine-3-sulfonate

Systemtic Name: (2-acetamidophenyl) 6-chloranylpyridine-3-sulfonate Openeye Name: (2-acetamidophenyl) 6-chloropyridine-3-sulfonate CAS Name: 6-chloro-3-pyridinesulfonic acid (2-acetamidophenyl) ester IUPAC Name: (2-acetamidophenyl) 6-chloropyridine-3-sulfonate Traditional Name: 6-chloropyridine-3-sulfonic acid (2-acetamidophenyl) ester Formula: C13H11ClN2O4S MolecularWeight: 326.75544

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CN=C(C=C2)Cl

Isomeric SMILES

CC(=O)NC1=CC=CC=C1OS(=O)(=O)C2=CN=C(C=C2)Cl

InChI

InChI=1S/C13H11ClN2O4S/c1-9(17)16-11-4-2-3-5-12(11)20-21(18,19)10-6-7-13(14)15-8-10/h2-8H,1H3,(H,16,17)