cycloheptyl-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanol

Systemtic Name: cycloheptyl-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanol Openeye Name: cycloheptyl-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanol CAS Name: cycloheptyl-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanol IUPAC Name: cycloheptyl-[6-(4-methylsulfonylphenyl)-1,3-benzodioxol-5-yl]methanol Traditional Name: cycloheptyl-[6-(4-mesylphenyl)-1,3-benzodioxol-5-yl]methanol Formula: C22H26O5S MolecularWeight: 402.50384

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2C(C4CCCCCC4)O)OCO3

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)C2=CC3=C(C=C2C(C4CCCCCC4)O)OCO3

InChI

InChI=1S/C22H26O5S/c1-28(24,25)17-10-8-15(9-11-17)18-12-20-21(27-14-26-20)13-19(18)22(23)16-6-4-2-3-5-7-16/h8-13,16,22-23H,2-7,14H2,1H3