2-[(5S,7R)-3-oxidanyl-1-adamantyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-[(5S,7R)-3-oxidanyl-1-adamantyl]-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Traditional Name: 1-(4-besylpiperazino)-2-[(5S,7R)-3-hydroxy-1-adamantyl]ethanone Formula: C22H30N2O4S MolecularWeight: 418.5496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C1CN(CCN1C(=O)CC23C[C@H]4C[C@@H](C2)CC(C4)(C3)O)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C22H30N2O4S/c25-20(15-21-11-17-10-18(12-21)14-22(26,13-17)16-21)23-6-8-24(9-7-23)29(27,28)19-4-2-1-3-5-19/h1-5,17-18,26H,6-16H2/t17-,18+,21?,22?