3,3-dimethyl-1-[3-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]sulfonyl-piperidine

Systemtic Name: 3,3-dimethyl-1-[3-[[4-(phenylmethyl)piperidin-1-yl]methyl]phenyl]sulfonyl-piperidine Openeye Name: 1-[3-[(4-benzyl-1-piperidyl)methyl]phenyl]sulfonyl-3,3-dimethyl-piperidine CAS Name: 3,3-dimethyl-1-[3-[[4-(phenylmethyl)-1-piperidinyl]methyl]phenyl]sulfonylpiperidine IUPAC Name: 1-[3-[(4-benzylpiperidin-1-yl)methyl]phenyl]sulfonyl-3,3-dimethylpiperidine Traditional Name: 1-[3-[(4-benzylpiperidino)methyl]phenyl]sulfonyl-3,3-dimethyl-piperidine Formula: C26H36N2O2S MolecularWeight: 440.64124

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)CN3CCC(CC3)CC4=CC=CC=C4)C

Isomeric SMILES

CC1(CCCN(C1)S(=O)(=O)C2=CC=CC(=C2)CN3CCC(CC3)CC4=CC=CC=C4)C

InChI

InChI=1S/C26H36N2O2S/c1-26(2)14-7-15-28(21-26)31(29,30)25-11-6-10-24(19-25)20-27-16-12-23(13-17-27)18-22-8-4-3-5-9-22/h3-6,8-11,19,23H,7,12-18,20-21H2,1-2H3