ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-3-carboxylate

Systemtic Name: ethyl (3S)-3-[(3-methoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-piperidine-3-carboxylate Openeye Name: ethyl (3S)-1-benzylsulfonyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate CAS Name: (3S)-3-[(3-methoxyphenyl)methyl]-1-(phenylmethyl)sulfonyl-3-piperidinecarboxylic acid ethyl ester IUPAC Name: ethyl (3S)-1-benzylsulfonyl-3-[(3-methoxyphenyl)methyl]piperidine-3-carboxylate Traditional Name: (3S)-1-benzylsulfonyl-3-m-anisyl-nipecotic acid ethyl ester Formula: C23H29NO5S MolecularWeight: 431.54506

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CCCN(C1)S(=O)(=O)CC2=CC=CC=C2)CC3=CC(=CC=C3)OC

Isomeric SMILES

CCOC(=O)[C@@]1(CCCN(C1)S(=O)(=O)CC2=CC=CC=C2)CC3=CC(=CC=C3)OC

InChI

InChI=1S/C23H29NO5S/c1-3-29-22(25)23(16-20-11-7-12-21(15-20)28-2)13-8-14-24(18-23)30(26,27)17-19-9-5-4-6-10-19/h4-7,9-12,15H,3,8,13-14,16-18H2,1-2H3/t23-/m0/s1