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

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-fluorophenyl)sulfonyl-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-(4-fluorophenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-fluorophenyl)sulfonylnipecotic acid [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] ester Formula: C23H20FN3O5S MolecularWeight: 469.485403

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=C(C=CC(=C1)C=C(C#N)C#N)OC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C23H20FN3O5S/c1-31-22-12-16(11-17(13-25)14-26)4-9-21(22)32-23(28)18-3-2-10-27(15-18)33(29,30)20-7-5-19(24)6-8-20/h4-9,11-12,18H,2-3,10,15H2,1H3