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

Systemtic Name: ethyl 5-cyano-6-[4-(phenylsulfonylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzenesulfonylcarbamoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[4-[benzenesulfonamido(oxo)methyl]-1-piperazinyl]-5-cyano-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzenesulfonylcarbamoyl)piperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(besylcarbamoyl)piperazino]-5-cyano-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C21H20F3N5O5S MolecularWeight: 511.47421

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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=C3)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=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3N5O5S/c1-2-34-19(30)16-12-14(13-25)18(26-17(16)21(22,23)24)28-8-10-29(11-9-28)20(31)27-35(32,33)15-6-4-3-5-7-15/h3-7,12H,2,8-11H2,1H3,(H,27,31)