2-[(2S,5S,6S)-6-methyl-1-(4-methylphenyl)sulfonyl-5-phenylmethoxy-piperidin-2-yl]ethanal

Systemtic Name: 2-[(2S,5S,6S)-6-methyl-1-(4-methylphenyl)sulfonyl-5-phenylmethoxy-piperidin-2-yl]ethanal Openeye Name: 2-[(2S,5S,6S)-5-benzyloxy-6-methyl-1-(p-tolylsulfonyl)-2-piperidyl]acetaldehyde CAS Name: 2-[(2S,5S,6S)-6-methyl-1-(4-methylphenyl)sulfonyl-5-phenylmethoxy-2-piperidinyl]acetaldehyde IUPAC Name: 2-[(2S,5S,6S)-6-methyl-1-(4-methylphenyl)sulfonyl-5-phenylmethoxypiperidin-2-yl]acetaldehyde Traditional Name: 2-[(2S,5S,6S)-5-benzoxy-6-methyl-1-tosyl-2-piperidyl]acetaldehyde Formula: C22H27NO4S MolecularWeight: 401.51908

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Descriptors Computed from Structure

Canonical SMILES:

CC1C(CCC(N1S(=O)(=O)C2=CC=C(C=C2)C)CC=O)OCC3=CC=CC=C3

Isomeric SMILES

C[C@H]1[C@H](CC[C@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CC=O)OCC3=CC=CC=C3

InChI

InChI=1S/C22H27NO4S/c1-17-8-11-21(12-9-17)28(25,26)23-18(2)22(13-10-20(23)14-15-24)27-16-19-6-4-3-5-7-19/h3-9,11-12,15,18,20,22H,10,13-14,16H2,1-2H3/t18-,20-,22-/m0/s1