ethyl (3S)-1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenylmethyl)piperidine-3-carboxylate Openeye Name: ethyl (3S)-3-benzyl-1-(2,5-dimethoxyphenyl)sulfonyl-piperidine-3-carboxylate CAS Name: (3S)-1-(2,5-dimethoxyphenyl)sulfonyl-3-(phenylmethyl)-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-3-benzyl-1-(2,5-dimethoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: (3S)-3-benzyl-1-(2,5-dimethoxyphenyl)sulfonyl-nipecotic acid ethyl ester Formula: C23H29NO6S MolecularWeight: 447.54446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC)CC3=CC=CC=C3

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)C2=C(C=CC(=C2)OC)OC)CC3=CC=CC=C3

InChI

InChI=1S/C23H29NO6S/c1-4-30-22(25)23(16-18-9-6-5-7-10-18)13-8-14-24(17-23)31(26,27)21-15-19(28-2)11-12-20(21)29-3/h5-7,9-12,15H,4,8,13-14,16-17H2,1-3H3/t23-/m0/s1