3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylbenzenesulfonamide

Systemtic Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonylbenzenesulfonamide Openeye Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: 3-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: 3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzenesulfonamide Formula: C17H18F3N4O3S+ MolecularWeight: 415.41003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)S(=O)(=O)N

Isomeric SMILES

C1CN(CCN1C2=[NH+]C=C(C=C2)C(F)(F)F)C(=O)C3=CC(=CC=C3)S(=O)(=O)N

InChI

InChI=1S/C17H17F3N4O3S/c18-17(19,20)13-4-5-15(22-11-13)23-6-8-24(9-7-23)16(25)12-2-1-3-14(10-12)28(21,26)27/h1-5,10-11H,6-9H2,(H2,21,26,27)/p+1