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

Systemtic Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylsulfanyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2,3-dihydro-1,4-benzodioxin-6-ylthio)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C22H24N2O5S2 MolecularWeight: 460.56636

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC3=C(C=C2)OCCO3)S(=O)(=O)C=CC4=CC=CC=C4

Isomeric SMILES

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

InChI

InChI=1S/C22H24N2O5S2/c25-22(17-30-19-6-7-20-21(16-19)29-14-13-28-20)23-9-11-24(12-10-23)31(26,27)15-8-18-4-2-1-3-5-18/h1-8,15-16H,9-14,17H2/b15-8+