2-(3-bromanyl-1-adamantyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(3-bromanyl-1-adamantyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(3-bromo-1-adamantyl)-1-[4-(2-thienylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(3-bromo-1-adamantyl)-1-(4-thiophen-2-ylsulfonyl-1-piperazinyl)ethanone IUPAC Name: 2-(3-bromo-1-adamantyl)-1-(4-thiophen-2-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(3-bromo-1-adamantyl)-1-[4-(2-thienylsulfonyl)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)Br)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)CC23CC4CC(C2)CC(C4)(C3)Br)S(=O)(=O)C5=CC=CS5

InChI

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