2-(1-adamantyl)-1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1-adamantyl)-1-[4-(5-bromanylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(1-adamantyl)-1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazin-1-yl]ethanone CAS Name: 2-(1-adamantyl)-1-[4-[(5-bromo-2-thiophenyl)sulfonyl]-1-piperazinyl]ethanone IUPAC Name: 2-(1-adamantyl)-1-[4-(5-bromothiophen-2-yl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(1-adamantyl)-1-[4-[(5-bromo-2-thienyl)sulfonyl]piperazino]ethanone Formula: C20H27BrN2O3S2 MolecularWeight: 487.47398

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(S5)Br

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=C(S5)Br

InChI

InChI=1S/C20H27BrN2O3S2/c21-17-1-2-19(27-17)28(25,26)23-5-3-22(4-6-23)18(24)13-20-10-14-7-15(11-20)9-16(8-14)12-20/h1-2,14-16H,3-13H2