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

Systemtic Name: 4-bromanyl-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide Openeye Name: 4-bromo-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide CAS Name: 4-bromo-N-(3-pyridin-1-iumylmethyl)benzenesulfonamide IUPAC Name: 4-bromo-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide Traditional Name: 4-bromo-N-(pyridin-1-ium-3-ylmethyl)benzenesulfonamide Formula: C12H12BrN2O2S+ MolecularWeight: 328.20488

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11BrN2O2S/c13-11-3-5-12(6-4-11)18(16,17)15-9-10-2-1-7-14-8-10/h1-8,15H,9H2/p+1