(2S,4R,6S)-2-methyl-1,4-bis-(4-methylphenyl)sulfonyl-6-(phenylmethyl)piperidine

Systemtic Name: (2S,4R,6S)-2-methyl-1,4-bis-(4-methylphenyl)sulfonyl-6-(phenylmethyl)piperidine Openeye Name: (2S,4R,6S)-2-benzyl-6-methyl-1,4-bis(p-tolylsulfonyl)piperidine CAS Name: (2S,4R,6S)-2-methyl-1,4-bis-(4-methylphenyl)sulfonyl-6-(phenylmethyl)piperidine IUPAC Name: (2S,4R,6S)-2-benzyl-6-methyl-1,4-bis-(4-methylphenyl)sulfonylpiperidine Traditional Name: (2S,4R,6S)-2-benzyl-6-methyl-1,4-ditosyl-piperidine Formula: C27H31NO4S2 MolecularWeight: 497.66934

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(CC(N1S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

Isomeric SMILES

C[C@H]1C[C@H](C[C@@H](N1S(=O)(=O)C2=CC=C(C=C2)C)CC3=CC=CC=C3)S(=O)(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C27H31NO4S2/c1-20-9-13-25(14-10-20)33(29,30)27-17-22(3)28(24(19-27)18-23-7-5-4-6-8-23)34(31,32)26-15-11-21(2)12-16-26/h4-16,22,24,27H,17-19H2,1-3H3/t22-,24-,27+/m0/s1