ethyl 5-cyano-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(m-tolylsulfonyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-(3-methylphenyl)sulfonyl-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-(3-methylphenyl)sulfonylpiperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(m-tolylsulfonyl)piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C21H21F3N4O4S MolecularWeight: 482.47605

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)C)C(F)(F)F

InChI

InChI=1S/C21H21F3N4O4S/c1-3-32-20(29)17-12-15(13-25)19(26-18(17)21(22,23)24)27-7-9-28(10-8-27)33(30,31)16-6-4-5-14(2)11-16/h4-6,11-12H,3,7-10H2,1-2H3