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

Systemtic Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Openeye Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone CAS Name: 1-[4-(4-chlorophenyl)sulfonyl-1-piperazinyl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone IUPAC Name: 1-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfanyl)ethanone Traditional Name: 1-[4-(4-chlorophenyl)sulfonylpiperazino]-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylthio)ethanone Formula: C21H23ClN2O5S2 MolecularWeight: 483.00072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S2/c22-16-2-5-18(6-3-16)31(26,27)24-10-8-23(9-11-24)21(25)15-30-17-4-7-19-20(14-17)29-13-1-12-28-19/h2-7,14H,1,8-13,15H2