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

Systemtic Name: [4-(2,2-dicyanoethenyl)-2-methoxy-phenyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] ester IUPAC Name: [4-(2,2-dicyanoethenyl)-2-methoxyphenyl] 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid [4-(2,2-dicyanovinyl)-2-methoxy-phenyl] ester Formula: C24H23N3O5S MolecularWeight: 465.52152

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5S/c1-17-3-6-21(7-4-17)33(29,30)27-11-9-20(10-12-27)24(28)32-22-8-5-18(14-23(22)31-2)13-19(15-25)16-26/h3-8,13-14,20H,9-12H2,1-2H3