3-(3,5-dimethoxyphenyl)propyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: 3-(3,5-dimethoxyphenyl)propyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: 3-(3,5-dimethoxyphenyl)propyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid 3-(3,5-dimethoxyphenyl)propyl ester IUPAC Name: 3-(3,5-dimethoxyphenyl)propyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid 3-(3,5-dimethoxyphenyl)propyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)CCCOC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)OC

Isomeric SMILES

COC1=CC(=CC(=C1)CCCOC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3)OC

InChI

InChI=1S/C23H29NO6S/c1-28-19-15-18(16-20(17-19)29-2)9-8-14-30-23(25)22-12-6-7-13-24(22)31(26,27)21-10-4-3-5-11-21/h3-5,10-11,15-17,22H,6-9,12-14H2,1-2H3