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

Systemtic Name: 6-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-tert-butylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-tert-butylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-tert-butylphenyl)sulfonylpiperazino]methyl]sesamol Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-22(2,3)17-4-6-18(7-5-17)30(26,27)24-10-8-23(9-11-24)14-16-12-20-21(13-19(16)25)29-15-28-20/h4-7,12-13,25H,8-11,14-15H2,1-3H3