[4-(2,2-dicyanoethenyl)phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C22H18FN3O4S MolecularWeight: 439.459423

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)C2=CC=C(C=C2)F)C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

InChI

InChI=1S/C22H18FN3O4S/c23-19-5-9-21(10-6-19)31(28,29)26-11-1-2-18(15-26)22(27)30-20-7-3-16(4-8-20)12-17(13-24)14-25/h3-10,12,18H,1-2,11,15H2