2-(1-adamantylsulfanyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one

Systemtic Name: 2-(1-adamantylsulfanyl)-1-[4-(phenylsulfonyl)piperazin-1-yl]propan-1-one Openeye Name: 2-(1-adamantylsulfanyl)-1-[4-(benzenesulfonyl)piperazin-1-yl]propan-1-one CAS Name: 2-(1-adamantylthio)-1-[4-(benzenesulfonyl)-1-piperazinyl]-1-propanone IUPAC Name: 2-(1-adamantylsulfanyl)-1-[4-(benzenesulfonyl)piperazin-1-yl]propan-1-one Traditional Name: 2-(1-adamantylthio)-1-(4-besylpiperazino)propan-1-one Formula: C23H32N2O3S2 MolecularWeight: 448.64178

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

CC(C(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)SC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O3S2/c1-17(29-23-14-18-11-19(15-23)13-20(12-18)16-23)22(26)24-7-9-25(10-8-24)30(27,28)21-5-3-2-4-6-21/h2-6,17-20H,7-16H2,1H3