1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-ethoxy-phenyl]ethanone CAS Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]methyl]-4-ethoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]methyl]-4-ethoxyphenyl]ethanone Traditional Name: 1-[3-[[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]methyl]-4-ethoxy-phenyl]ethanone Formula: C23H28N2O6S MolecularWeight: 460.54322

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)CN2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C23H28N2O6S/c1-3-29-21-6-4-18(17(2)26)14-19(21)16-24-8-10-25(11-9-24)32(27,28)20-5-7-22-23(15-20)31-13-12-30-22/h4-7,14-15H,3,8-13,16H2,1-2H3