(2,3,5-trimethylphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (2,3,5-trimethylphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (2,3,5-trimethylphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (2,3,5-trimethylphenyl) ester IUPAC Name: (2,3,5-trimethylphenyl) 1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethoxyphenyl)sulfonylisonipecotic acid (2,3,5-trimethylphenyl) ester Formula: C23H29NO6S MolecularWeight: 447.54446

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C23H29NO6S/c1-15-12-16(2)17(3)21(13-15)30-23(25)18-8-10-24(11-9-18)31(26,27)19-6-7-20(28-4)22(14-19)29-5/h6-7,12-14,18H,8-11H2,1-5H3