N,N-diethyl-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-benzenesulfonamide

Systemtic Name: N,N-diethyl-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazin-1-yl]carbonyl-benzenesulfonamide Openeye Name: N,N-diethyl-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzenesulfonamide CAS Name: N,N-diethyl-3-[oxo-[4-[5-(trifluoromethyl)-2-pyridin-1-iumyl]-1-piperazinyl]methyl]benzenesulfonamide IUPAC Name: N,N-diethyl-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzenesulfonamide Traditional Name: N,N-diethyl-3-[4-[5-(trifluoromethyl)pyridin-1-ium-2-yl]piperazine-1-carbonyl]benzenesulfonamide Formula: C21H26F3N4O3S+ MolecularWeight: 471.51635

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC=CC(=C1)C(=O)N2CCN(CC2)C3=[NH+]C=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H25F3N4O3S/c1-3-28(4-2)32(30,31)18-7-5-6-16(14-18)20(29)27-12-10-26(11-13-27)19-9-8-17(15-25-19)21(22,23)24/h5-9,14-15H,3-4,10-13H2,1-2H3/p+1