ethyl 6-[4-[4-bromanyl-2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate

Systemtic Name: ethyl 6-[4-[4-bromanyl-2,5-bis(fluoranyl)phenyl]sulfonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Openeye Name: ethyl 6-[4-(4-bromo-2,5-difluoro-phenyl)sulfonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate CAS Name: 6-[4-(4-bromo-2,5-difluorophenyl)sulfonyl-1-piperazinyl]-5-cyano-2-(trifluoromethyl)-3-pyridinecarboxylic acid ethyl ester IUPAC Name: ethyl 6-[4-(4-bromo-2,5-difluorophenyl)sulfonylpiperazin-1-yl]-5-cyano-2-(trifluoromethyl)pyridine-3-carboxylate Traditional Name: 6-[4-(4-bromo-2,5-difluoro-phenyl)sulfonylpiperazino]-5-cyano-2-(trifluoromethyl)nicotinic acid ethyl ester Formula: C20H16BrF5N4O4S MolecularWeight: 583.326456

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

Isomeric SMILES

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

InChI

InChI=1S/C20H16BrF5N4O4S/c1-2-34-19(31)12-7-11(10-27)18(28-17(12)20(24,25)26)29-3-5-30(6-4-29)35(32,33)16-9-14(22)13(21)8-15(16)23/h7-9H,2-6H2,1H3