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

Systemtic Name: ethyl 5-cyano-6-[4-[(2-methylphenyl)sulfonylcarbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-[4-(o-tolylsulfonylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 5-cyano-6-[4-[[(2-methylphenyl)sulfonylamino]-oxomethyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-[4-[(2-methylphenyl)sulfonylcarbamoyl]piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 5-cyano-6-[4-(o-tolylsulfonylcarbamoyl)piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C22H22F3N5O5S MolecularWeight: 525.50079

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=CC=C3C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N=C(C(=C1)C#N)N2CCN(CC2)C(=O)NS(=O)(=O)C3=CC=CC=C3C)C(F)(F)F

InChI

InChI=1S/C22H22F3N5O5S/c1-3-35-20(31)16-12-15(13-26)19(27-18(16)22(23,24)25)29-8-10-30(11-9-29)21(32)28-36(33,34)17-7-5-4-6-14(17)2/h4-7,12H,3,8-11H2,1-2H3,(H,28,32)