2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone Formula: C21H23ClN2O5S MolecularWeight: 450.93572

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23ClN2O5S/c22-18-13-16(14-19-21(18)29-12-4-11-28-19)15-20(25)23-7-9-24(10-8-23)30(26,27)17-5-2-1-3-6-17/h1-3,5-6,13-14H,4,7-12,15H2