[4-(4-ethanoylpiperazin-1-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2,3-dihydro-1,4-benzodioxine-6-sulfonate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-sulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

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