1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone

Systemtic Name: 1-[4-(5-chloranylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone CAS Name: 1-[4-[(5-chloro-2-thiophenyl)sulfonyl]-1-piperazinyl]-2-(3-hydroxy-1-adamantyl)ethanone IUPAC Name: 1-[4-(5-chlorothiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-hydroxy-1-adamantyl)ethanone Traditional Name: 1-[4-[(5-chloro-2-thienyl)sulfonyl]piperazino]-2-(3-hydroxy-1-adamantyl)ethanone Formula: C20H27ClN2O4S2 MolecularWeight: 459.02238

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H27ClN2O4S2/c21-16-1-2-18(28-16)29(26,27)23-5-3-22(4-6-23)17(24)12-19-8-14-7-15(9-19)11-20(25,10-14)13-19/h1-2,14-15,25H,3-13H2