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

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

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5S/c1-17-6-9-20(10-7-17)33(29,30)27-12-4-3-5-21(27)24(28)32-22-11-8-18(14-23(22)31-2)13-19(15-25)16-26/h6-11,13-14,21H,3-5,12H2,1-2H3