4-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]benzenesulfonamide

Systemtic Name: 4-[2-[[3-chloranyl-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]benzenesulfonamide Openeye Name: 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]benzenesulfonamide CAS Name: 4-[2-[[3-chloro-5-(trifluoromethyl)-2-pyridin-1-iumyl]amino]ethyl]benzenesulfonamide IUPAC Name: 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]benzenesulfonamide Traditional Name: 4-[2-[[3-chloro-5-(trifluoromethyl)pyridin-1-ium-2-yl]amino]ethyl]benzenesulfonamide Formula: C14H14ClF3N3O2S+ MolecularWeight: 380.79307

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)S(=O)(=O)N

Isomeric SMILES

C1=CC(=CC=C1CCNC2=C(C=C(C=[NH+]2)C(F)(F)F)Cl)S(=O)(=O)N

InChI

InChI=1S/C14H13ClF3N3O2S/c15-12-7-10(14(16,17)18)8-21-13(12)20-6-5-9-1-3-11(4-2-9)24(19,22)23/h1-4,7-8H,5-6H2,(H,20,21)(H2,19,22,23)/p+1