6-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol

Systemtic Name: 6-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(2,5-dimethylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(2,5-dimethylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(2,5-dimethylphenyl)sulfonylpiperazino]methyl]sesamol Formula: C20H24N2O5S MolecularWeight: 404.47996

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C20H24N2O5S/c1-14-3-4-15(2)20(9-14)28(24,25)22-7-5-21(6-8-22)12-16-10-18-19(11-17(16)23)27-13-26-18/h3-4,9-11,23H,5-8,12-13H2,1-2H3