(4-cyano-2-methoxy-phenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid (4-cyano-2-methoxy-phenyl) ester Formula: C22H24N2O7S MolecularWeight: 460.50016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=C(C=C3)C#N)OC)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OC3=C(C=C(C=C3)C#N)OC)OC

InChI

InChI=1S/C22H24N2O7S/c1-28-18-7-5-17(13-21(18)30-3)32(26,27)24-10-8-16(9-11-24)22(25)31-19-6-4-15(14-23)12-20(19)29-2/h4-7,12-13,16H,8-11H2,1-3H3