[4-(2,2-dicyanoethenyl)phenyl] 1-(phenylsulfonyl)piperidine-3-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(phenylsulfonyl)piperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(benzenesulfonyl)piperidine-3-carboxylate CAS Name: 1-(benzenesulfonyl)-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(benzenesulfonyl)piperidine-3-carboxylate Traditional Name: 1-besylnipecotic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C22H19N3O4S MolecularWeight: 421.46896

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H19N3O4S/c23-14-18(15-24)13-17-8-10-20(11-9-17)29-22(26)19-5-4-12-25(16-19)30(27,28)21-6-2-1-3-7-21/h1-3,6-11,13,19H,4-5,12,16H2