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

Systemtic Name: 4-nitro-N-(2-pyridin-1-ium-4-ylethyl)benzenesulfonamide Openeye Name: 4-nitro-N-(2-pyridin-1-ium-4-ylethyl)benzenesulfonamide CAS Name: 4-nitro-N-[2-(4-pyridin-1-iumyl)ethyl]benzenesulfonamide IUPAC Name: 4-nitro-N-(2-pyridin-1-ium-4-ylethyl)benzenesulfonamide Traditional Name: 4-nitro-N-(2-pyridin-1-ium-4-ylethyl)benzenesulfonamide Formula: C13H14N3O4S+ MolecularWeight: 308.33296

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCCC2=CC=[NH+]C=C2

Isomeric SMILES

C1=CC(=CC=C1[N+](=O)[O-])S(=O)(=O)NCCC2=CC=[NH+]C=C2

InChI

InChI=1S/C13H13N3O4S/c17-16(18)12-1-3-13(4-2-12)21(19,20)15-10-7-11-5-8-14-9-6-11/h1-6,8-9,15H,7,10H2/p+1