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

Systemtic Name: 2-(1-adamantyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-(benzenesulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(benzenesulfonyl)piperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-(4-besylpiperazino)ethanone Formula: C22H30N2O3S MolecularWeight: 402.5502

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H30N2O3S/c25-21(16-22-13-17-10-18(14-22)12-19(11-17)15-22)23-6-8-24(9-7-23)28(26,27)20-4-2-1-3-5-20/h1-5,17-19H,6-16H2