(4-cyano-2-methoxy-phenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4-cyano-2-methoxy-phenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4-cyano-2-methoxy-phenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(2-methoxycarbonylphenyl)sulfonyl-4-piperidinecarboxylic acid (4-cyano-2-methoxyphenyl) ester IUPAC Name: (4-cyano-2-methoxyphenyl) 1-(2-methoxycarbonylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(2-carbomethoxyphenyl)sulfonylisonipecotic acid (4-cyano-2-methoxy-phenyl) ester Formula: C22H22N2O7S MolecularWeight: 458.48428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C#N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

Isomeric SMILES

COC1=C(C=CC(=C1)C#N)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3C(=O)OC

InChI

InChI=1S/C22H22N2O7S/c1-29-19-13-15(14-23)7-8-18(19)31-21(25)16-9-11-24(12-10-16)32(27,28)20-6-4-3-5-17(20)22(26)30-2/h3-8,13,16H,9-12H2,1-2H3