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

Systemtic Name: 6-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Openeye Name: 6-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol CAS Name: 6-[[4-(4-propylphenyl)sulfonyl-1-piperazinyl]methyl]-1,3-benzodioxol-5-ol IUPAC Name: 6-[[4-(4-propylphenyl)sulfonylpiperazin-1-yl]methyl]-1,3-benzodioxol-5-ol Traditional Name: 6-[[4-(4-propylphenyl)sulfonylpiperazino]methyl]sesamol Formula: C21H26N2O5S MolecularWeight: 418.50654

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

Isomeric SMILES

CCCC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3O)OCO4

InChI

InChI=1S/C21H26N2O5S/c1-2-3-16-4-6-18(7-5-16)29(25,26)23-10-8-22(9-11-23)14-17-12-20-21(13-19(17)24)28-15-27-20/h4-7,12-13,24H,2-3,8-11,14-15H2,1H3