ethyl 6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate

Systemtic Name: ethyl 6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate Openeye Name: ethyl 6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate CAS Name: 6-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-5-cyano-2-(trifluoromethyl)-3-pyridin-1-iumcarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridin-1-ium-3-carboxylate Traditional Name: 6-[4-(4-chlorophenyl)sulfonylpiperazino]-5-cyano-2-(trifluoromethyl)pyridin-1-ium-3-carboxylic acid ethyl ester Formula: C20H19ClF3N4O4S+ MolecularWeight: 503.90247

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C([NH+]=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C20H18ClF3N4O4S/c1-2-32-19(29)16-11-13(12-25)18(26-17(16)20(22,23)24)27-7-9-28(10-8-27)33(30,31)15-5-3-14(21)4-6-15/h3-6,11H,2,7-10H2,1H3/p+1