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

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-2-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-chlorophenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylpipecolinic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C22H18ClN3O4S MolecularWeight: 455.91402

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C(C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C(C1)C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C22H18ClN3O4S/c23-18-6-10-20(11-7-18)31(28,29)26-12-2-1-3-21(26)22(27)30-19-8-4-16(5-9-19)13-17(14-24)15-25/h4-11,13,21H,1-3,12H2