2-[[2-(1,4-benzodioxin-3-yl)phenyl]methylsulfinyl]-1-(4-ethanoylpiperazin-1-yl)ethanone

Systemtic Name: 2-[[2-(1,4-benzodioxin-3-yl)phenyl]methylsulfinyl]-1-(4-ethanoylpiperazin-1-yl)ethanone Openeye Name: 1-(4-acetylpiperazin-1-yl)-2-[[2-(1,4-benzodioxin-3-yl)phenyl]methylsulfinyl]ethanone CAS Name: 1-(4-acetyl-1-piperazinyl)-2-[[2-(1,4-benzodioxin-3-yl)phenyl]methylsulfinyl]ethanone IUPAC Name: 1-(4-acetylpiperazin-1-yl)-2-[[2-(1,4-benzodioxin-3-yl)phenyl]methylsulfinyl]ethanone Traditional Name: 1-(4-acetylpiperazino)-2-[2-(1,4-benzodioxin-3-yl)benzyl]sulfinyl-ethanone Formula: C23H24N2O5S MolecularWeight: 440.51206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC=C2C3=COC4=CC=CC=C4O3

Isomeric SMILES

CC(=O)N1CCN(CC1)C(=O)CS(=O)CC2=CC=CC=C2C3=COC4=CC=CC=C4O3

InChI

InChI=1S/C23H24N2O5S/c1-17(26)24-10-12-25(13-11-24)23(27)16-31(28)15-18-6-2-3-7-19(18)22-14-29-20-8-4-5-9-21(20)30-22/h2-9,14H,10-13,15-16H2,1H3