2-(1-adamantylamino)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantylamino)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-adamantylamino)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(1-adamantylamino)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantylamino)-1-(4-benzylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(1-adamantylamino)-1-(4-benzylsulfonylpiperazino)ethanone Formula: C23H33N3O3S MolecularWeight: 431.59142

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CNC23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC=CC=C5

Isomeric SMILES

C1CN(CCN1C(=O)CNC23CC4CC(C2)CC(C4)C3)S(=O)(=O)CC5=CC=CC=C5

InChI

InChI=1S/C23H33N3O3S/c27-22(16-24-23-13-19-10-20(14-23)12-21(11-19)15-23)25-6-8-26(9-7-25)30(28,29)17-18-4-2-1-3-5-18/h1-5,19-21,24H,6-17H2