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

Systemtic Name: ethyl 6-[4-(phenylsulfonylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(benzenesulfonylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[4-[benzenesulfonamido(oxo)methyl]-1-piperazinyl]-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(benzenesulfonylcarbamoyl)piperazin-1-yl]-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(besylcarbamoyl)piperazino]-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C20H21F3N4O5S MolecularWeight: 486.46475

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C20H21F3N4O5S/c1-2-32-18(28)15-8-9-16(24-17(15)20(21,22)23)26-10-12-27(13-11-26)19(29)25-33(30,31)14-6-4-3-5-7-14/h3-9H,2,10-13H2,1H3,(H,25,29)