1-[4-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-[(6-oxidanyl-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-[(6-hydroxy-1,3-benzodioxol-5-yl)methyl]piperazino]sulfonylphenyl]ethanone Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-14(23)15-2-4-17(5-3-15)29(25,26)22-8-6-21(7-9-22)12-16-10-19-20(11-18(16)24)28-13-27-19/h2-5,10-11,24H,6-9,12-13H2,1H3