ethyl 5-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate

Systemtic Name: ethyl 5-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Openeye Name: ethyl 5-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate CAS Name: 5-[[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]sulfonyl]-2-furancarboxylic acid ethyl ester IUPAC Name: ethyl 5-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]sulfonylfuran-2-carboxylate Traditional Name: 5-[4-(2-cyano-3-fluoro-phenyl)piperazino]sulfonylfuran-2-carboxylic acid ethyl ester Formula: C18H18FN3O5S MolecularWeight: 407.416023

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

Isomeric SMILES

CCOC(=O)C1=CC=C(O1)S(=O)(=O)N2CCN(CC2)C3=C(C(=CC=C3)F)C#N

InChI

InChI=1S/C18H18FN3O5S/c1-2-26-18(23)16-6-7-17(27-16)28(24,25)22-10-8-21(9-11-22)15-5-3-4-14(19)13(15)12-20/h3-7H,2,8-11H2,1H3