2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-[(E)-styryl]sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-[(E)-2-phenylethenyl]sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-[(E)-2-phenylethenyl]sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-[(E)-styryl]sulfonylpiperazino]ethanone Formula: C23H26N2O5S2 MolecularWeight: 474.59294

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(C=C(C=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC=C4)OC1

Isomeric SMILES

C1COC2=C(C=C(C=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC=C4)OC1

InChI

InChI=1S/C23H26N2O5S2/c26-23(18-31-20-7-8-21-22(17-20)30-15-4-14-29-21)24-10-12-25(13-11-24)32(27,28)16-9-19-5-2-1-3-6-19/h1-3,5-9,16-17H,4,10-15,18H2/b16-9+