1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-(1,3-benzodioxol-5-ylmethyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-(4-piperonylpiperazino)sulfonylphenyl]ethanone Formula: C20H22N2O5S MolecularWeight: 402.46408

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H22N2O5S/c1-15(23)17-3-2-4-18(12-17)28(24,25)22-9-7-21(8-10-22)13-16-5-6-19-20(11-16)27-14-26-19/h2-6,11-12H,7-10,13-14H2,1H3