1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one

Systemtic Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one Openeye Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-phenylsulfanyl-propan-1-one CAS Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-1-piperazinyl]-2-(phenylthio)-1-propanone IUPAC Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazin-1-yl]-2-phenylsulfanylpropan-1-one Traditional Name: 1-[4-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperazino]-2-(phenylthio)propan-1-one Formula: C21H24N2O5S2 MolecularWeight: 448.55566

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)SC4=CC=CC=C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCO3)SC4=CC=CC=C4

InChI

InChI=1S/C21H24N2O5S2/c1-16(29-17-5-3-2-4-6-17)21(24)22-9-11-23(12-10-22)30(25,26)18-7-8-19-20(15-18)28-14-13-27-19/h2-8,15-16H,9-14H2,1H3