2-(3-bromanyl-1-adamantyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-bromo-1-adamantyl)ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-(3-bromo-1-adamantyl)ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(3-bromo-1-adamantyl)ethanone Traditional Name: 1-(4-besylpiperazino)-2-(3-bromo-1-adamantyl)ethanone Formula: C22H29BrN2O3S MolecularWeight: 481.44626

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)(C3)Br)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)(C3)Br)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H29BrN2O3S/c23-22-13-17-10-18(14-22)12-21(11-17,16-22)15-20(26)24-6-8-25(9-7-24)29(27,28)19-4-2-1-3-5-19/h1-5,17-18H,6-16H2