[1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidin-2-yl]methanol

Systemtic Name: [1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidin-2-yl]methanol Openeye Name: [1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]-2-piperidyl]methanol CAS Name: [1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]-2-piperidinyl]methanol IUPAC Name: [1-[[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methyl]piperidin-2-yl]methanol Traditional Name: [1-[[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]methyl]-2-piperidyl]methanol Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CN4CCCCC4CO)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2CN4CCCCC4CO)OCO3

InChI

InChI=1S/C21H25NO5S/c1-28(24,25)18-7-5-15(6-8-18)19-11-21-20(26-14-27-21)10-16(19)12-22-9-3-2-4-17(22)13-23/h5-8,10-11,17,23H,2-4,9,12-14H2,1H3