1-(1-adamantyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]ethanone Formula: C21H28N2O3S2 MolecularWeight: 420.58862

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C21H28N2O3S2/c24-19(21-10-15-7-16(11-21)9-17(8-15)12-21)14-27-20-4-3-18(13-22-20)28(25,26)23-5-1-2-6-23/h3-4,13,15-17H,1-2,5-12,14H2