(2,4-dimethylphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,4-dimethylphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,4-dimethylphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2,4-dimethylphenyl) ester IUPAC Name: (2,4-dimethylphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid (2,4-dimethylphenyl) ester Formula: C22H27NO6S MolecularWeight: 433.51788

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

Isomeric SMILES

CC1=CC(=C(C=C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)OC)OC)C

InChI

InChI=1S/C22H27NO6S/c1-15-5-7-19(16(2)13-15)29-22(24)17-9-11-23(12-10-17)30(25,26)18-6-8-20(27-3)21(14-18)28-4/h5-8,13-14,17H,9-12H2,1-4H3