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

Systemtic Name: 2-(6-chloranyl-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone CAS Name: 2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(6-chloro-3,4-dihydro-2H-1,5-benzodioxepin-8-yl)ethanone Formula: C22H25ClN2O5S MolecularWeight: 464.9623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25ClN2O5S/c23-19-13-18(14-20-22(19)30-12-4-11-29-20)15-21(26)24-7-9-25(10-8-24)31(27,28)16-17-5-2-1-3-6-17/h1-3,5-6,13-14H,4,7-12,15-16H2