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

Systemtic Name: 2-nitro-N-(pyridin-1-ium-4-ylmethyl)benzenesulfonamide Openeye Name: 2-nitro-N-(pyridin-1-ium-4-ylmethyl)benzenesulfonamide CAS Name: 2-nitro-N-(4-pyridin-1-iumylmethyl)benzenesulfonamide IUPAC Name: 2-nitro-N-(pyridin-1-ium-4-ylmethyl)benzenesulfonamide Traditional Name: 2-nitro-N-(pyridin-1-ium-4-ylmethyl)benzenesulfonamide Formula: C12H12N3O4S+ MolecularWeight: 294.30638

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC=C(C(=C1)[N+](=O)[O-])S(=O)(=O)NCC2=CC=[NH+]C=C2

InChI

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