2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-(3-fluorophenyl)sulfonylpiperazino]ethanone Formula: C20H21FN2O5S2 MolecularWeight: 452.519543

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C20H21FN2O5S2/c21-15-2-1-3-17(12-15)30(25,26)23-8-6-22(7-9-23)20(24)14-29-16-4-5-18-19(13-16)28-11-10-27-18/h1-5,12-13H,6-11,14H2