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

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(p-tolylsulfonyl)piperidine-2-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-2-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-methylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-tosylpipecolinic 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)N2CCCCC2C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

InChI

InChI=1S/C23H21N3O4S/c1-17-5-11-21(12-6-17)31(28,29)26-13-3-2-4-22(26)23(27)30-20-9-7-18(8-10-20)14-19(15-24)16-25/h5-12,14,22H,2-4,13H2,1H3