1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-pyridin-4-ylsulfanyl-ethanone Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-(4-pyridylsulfanyl)ethanone CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-(pyridin-4-ylthio)ethanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-pyridin-4-ylsulfanylethanone Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-(4-pyridylthio)ethanone Formula: C19H21N3O5S2 MolecularWeight: 435.51714

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=NC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=NC=C2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C19H21N3O5S2/c23-19(14-28-15-3-5-20-6-4-15)21-7-9-22(10-8-21)29(24,25)16-1-2-17-18(13-16)27-12-11-26-17/h1-6,13H,7-12,14H2