[4-(2,2-dicyanoethenyl)phenyl] 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)phenyl] 1-(p-tolylsulfonyl)piperidine-3-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-3-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)phenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)phenyl] 1-(4-methylphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-tosylnipecotic 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)N2CCCC(C2)C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(C2)C(=O)OC3=CC=C(C=C3)C=C(C#N)C#N

InChI

InChI=1S/C23H21N3O4S/c1-17-4-10-22(11-5-17)31(28,29)26-12-2-3-20(16-26)23(27)30-21-8-6-18(7-9-21)13-19(14-24)15-25/h4-11,13,20H,2-3,12,16H2,1H3