3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: 3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-(phenylmethyl)sulfonylpiperidine-2-carboxylate Openeye Name: 3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-benzylsulfonylpiperidine-2-carboxylate CAS Name: (2S)-1-(phenylmethyl)sulfonyl-2-piperidinecarboxylic acid 3-(3,4,5-trimethoxyphenyl)propyl ester IUPAC Name: 3-(3,4,5-trimethoxyphenyl)propyl (2S)-1-benzylsulfonylpiperidine-2-carboxylate Traditional Name: (2S)-1-benzylsulfonylpipecolinic acid 3-(3,4,5-trimethoxyphenyl)propyl ester Formula: C25H33NO7S MolecularWeight: 491.59702

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCCOC(=O)C2CCCCN2S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C25H33NO7S/c1-30-22-16-20(17-23(31-2)24(22)32-3)12-9-15-33-25(27)21-13-7-8-14-26(21)34(28,29)18-19-10-5-4-6-11-19/h4-6,10-11,16-17,21H,7-9,12-15,18H2,1-3H3/t21-/m0/s1