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

Systemtic Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C22H26N2O5S2 MolecularWeight: 462.58224

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H26N2O5S2/c25-22(16-30-19-7-8-20-21(15-19)29-14-4-13-28-20)23-9-11-24(12-10-23)31(26,27)17-18-5-2-1-3-6-18/h1-3,5-8,15H,4,9-14,16-17H2