1-(1-adamantyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 1-(1-adamantyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 1-(1-adamantyl)-2-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 1-(1-adamantyl)-2-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 1-(1-adamantyl)-2-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 1-(1-adamantyl)-2-[4-(2-thienylsulfonyl)piperazino]ethanone Formula: C20H28N2O3S2 MolecularWeight: 408.57792

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1CC(=O)C23CC4CC(C2)CC(C4)C3)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C20H28N2O3S2/c23-18(20-11-15-8-16(12-20)10-17(9-15)13-20)14-21-3-5-22(6-4-21)27(24,25)19-2-1-7-26-19/h1-2,7,15-17H,3-6,8-14H2