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

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

InChI

InChI=1S/C24H23N3O5S/c1-17-5-8-21(9-6-17)33(29,30)27-11-3-4-20(16-27)24(28)32-22-10-7-18(13-23(22)31-2)12-19(14-25)15-26/h5-10,12-13,20H,3-4,11,16H2,1-2H3