2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-methylsulfonyl-piperidin-4-ol

Systemtic Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxy-phenyl]-1-methylsulfonyl-piperidin-4-ol Openeye Name: 2-[2-benzyloxy-4-(1,1-dimethylheptyl)phenyl]-1-methylsulfonyl-piperidin-4-ol CAS Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-methylsulfonyl-4-piperidinol IUPAC Name: 2-[4-(2-methyloctan-2-yl)-2-phenylmethoxyphenyl]-1-methylsulfonylpiperidin-4-ol Traditional Name: 2-[2-benzoxy-4-(1,1-dimethylheptyl)phenyl]-1-mesyl-piperidin-4-ol Formula: C28H41NO4S MolecularWeight: 487.69444

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2S(=O)(=O)C)O)OCC3=CC=CC=C3

Isomeric SMILES

CCCCCCC(C)(C)C1=CC(=C(C=C1)C2CC(CCN2S(=O)(=O)C)O)OCC3=CC=CC=C3

InChI

InChI=1S/C28H41NO4S/c1-5-6-7-11-17-28(2,3)23-14-15-25(26-20-24(30)16-18-29(26)34(4,31)32)27(19-23)33-21-22-12-9-8-10-13-22/h8-10,12-15,19,24,26,30H,5-7,11,16-18,20-21H2,1-4H3