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

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

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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=CC=C3

Isomeric SMILES

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

InChI

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