N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-cyano-benzenesulfonamide

Systemtic Name: N-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-cyano-benzenesulfonamide Openeye Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-cyano-benzenesulfonamide CAS Name: N-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]-3-cyanobenzenesulfonamide IUPAC Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-cyanobenzenesulfonamide Traditional Name: N-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]-3-cyano-benzenesulfonamide Formula: C15H13ClF3N4O2S+ MolecularWeight: 405.80253

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)S(=O)(=O)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C#N

Isomeric SMILES

C1=CC(=CC(=C1)S(=O)(=O)NCCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)C#N

InChI

InChI=1S/C15H12ClF3N4O2S/c16-13-7-11(15(17,18)19)9-22-14(13)21-4-5-23-26(24,25)12-3-1-2-10(6-12)8-20/h1-3,6-7,9,23H,4-5H2,(H,21,22)/p+1