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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OC2=CC=C(C=C2)C=C(C#N)C#N)S(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CN(CCC1C(=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/c23-19-3-7-21(8-4-19)31(28,29)26-11-9-18(10-12-26)22(27)30-20-5-1-16(2-6-20)13-17(14-24)15-25/h1-8,13,18H,9-12H2