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

Systemtic Name: 4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide Openeye Name: 4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide CAS Name: 4-nitro-N-(3-pyridin-1-iumylmethyl)benzenesulfonamide IUPAC Name: 4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide Traditional Name: 4-nitro-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide Formula: C12H12N3O4S+ MolecularWeight: 294.30638

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11N3O4S/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/p+1