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

Systemtic Name: 1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]-2-(3-oxidanyl-1-adamantyl)ethanone Openeye Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazin-1-yl]ethanone CAS Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[(5-methyl-2-thiophenyl)sulfonyl]-1-piperazinyl]ethanone IUPAC Name: 2-(3-hydroxy-1-adamantyl)-1-[4-(5-methylthiophen-2-yl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(3-hydroxy-1-adamantyl)-1-[4-[(5-methyl-2-thienyl)sulfonyl]piperazino]ethanone Formula: C21H30N2O4S2 MolecularWeight: 438.6039

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

Isomeric SMILES

CC1=CC=C(S1)S(=O)(=O)N2CCN(CC2)C(=O)CC34CC5CC(C3)CC(C5)(C4)O

InChI

InChI=1S/C21H30N2O4S2/c1-15-2-3-19(28-15)29(26,27)23-6-4-22(5-7-23)18(24)13-20-9-16-8-17(10-20)12-21(25,11-16)14-20/h2-3,16-17,25H,4-14H2,1H3