1-adamantyl-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: 1-adamantyl-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: 1-adamantyl-[4-(benzenesulfonyl)piperazin-1-yl]methanone CAS Name: 1-adamantyl-[4-(benzenesulfonyl)-1-piperazinyl]methanone IUPAC Name: 1-adamantyl-[4-(benzenesulfonyl)piperazin-1-yl]methanone Traditional Name: 1-adamantyl-(4-besylpiperazino)methanone Formula: C21H28N2O3S MolecularWeight: 388.52362

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C21H28N2O3S/c24-20(21-13-16-10-17(14-21)12-18(11-16)15-21)22-6-8-23(9-7-22)27(25,26)19-4-2-1-3-5-19/h1-5,16-18H,6-15H2