4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride

Systemtic Name: 4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride Openeye Name: 4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride CAS Name: 4-nitro-N-(3-pyridin-1-iumylmethyl)benzenesulfonamide chloride IUPAC Name: 4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride Traditional Name: 4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide chloride Formula: C12H12ClN3O4S MolecularWeight: 329.75938

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C[NH+]=C1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

Isomeric SMILES

C1=CC(=C[NH+]=C1)CNS(=O)(=O)C2=CC=C(C=C2)[N+](=O)[O-].[Cl-]

InChI

InChI=1S/C12H11N3O4S.ClH/c16-15(17)11-3-5-12(6-4-11)20(18,19)14-9-10-2-1-7-13-8-10;/h1-8,14H,9H2;1H