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

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [4-(2,2-dicyanovinyl)phenyl] ester Formula: C23H21N3O4S MolecularWeight: 435.49554

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

InChI

InChI=1S/C23H21N3O4S/c1-17-2-8-22(9-3-17)31(28,29)26-12-10-20(11-13-26)23(27)30-21-6-4-18(5-7-21)14-19(15-24)16-25/h2-9,14,20H,10-13H2,1H3