1-(6-butylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-piperazin-1-yl-ethanol

Systemtic Name: 1-(6-butylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-piperazin-1-yl-ethanol Openeye Name: 1-(6-butylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-piperazin-1-yl-ethanol CAS Name: 1-(6-butylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-(1-piperazinyl)ethanol IUPAC Name: 1-(6-butylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-piperazin-1-ylethanol Traditional Name: 1-(6-butylsulfonyl-2,3-dihydro-1,4-benzodioxin-2-yl)-2-piperazino-ethanol Formula: C18H28N2O5S MolecularWeight: 384.49032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=CC2=C(C=C1)OC(CO2)C(CN3CCNCC3)O

Isomeric SMILES

CCCCS(=O)(=O)C1=CC2=C(C=C1)OC(CO2)C(CN3CCNCC3)O

InChI

InChI=1S/C18H28N2O5S/c1-2-3-10-26(22,23)14-4-5-16-17(11-14)24-13-18(25-16)15(21)12-20-8-6-19-7-9-20/h4-5,11,15,18-19,21H,2-3,6-10,12-13H2,1H3