ethyl 4-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]sulfonylbenzoate

Systemtic Name: ethyl 4-[4-(2-cyano-3-fluoranyl-phenyl)piperazin-1-yl]sulfonylbenzoate Openeye Name: ethyl 4-[4-(2-cyano-3-fluoro-phenyl)piperazin-1-yl]sulfonylbenzoate CAS Name: 4-[[4-(2-cyano-3-fluorophenyl)-1-piperazinyl]sulfonyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[4-(2-cyano-3-fluorophenyl)piperazin-1-yl]sulfonylbenzoate Traditional Name: 4-[4-(2-cyano-3-fluoro-phenyl)piperazino]sulfonylbenzoic acid ethyl ester Formula: C20H20FN3O4S MolecularWeight: 417.453903

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H20FN3O4S/c1-2-28-20(25)15-6-8-16(9-7-15)29(26,27)24-12-10-23(11-13-24)19-5-3-4-18(21)17(19)14-22/h3-9H,2,10-13H2,1H3