1-(1-adamantyl)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-ethanone

Systemtic Name: 1-(1-adamantyl)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanyl-ethanone Openeye Name: 1-(1-adamantyl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]sulfanyl]ethanone CAS Name: 1-(1-adamantyl)-2-[[5-(1-azepanylsulfonyl)-2-pyridinyl]thio]ethanone IUPAC Name: 1-(1-adamantyl)-2-[5-(azepan-1-ylsulfonyl)pyridin-2-yl]sulfanylethanone Traditional Name: 1-(1-adamantyl)-2-[[5-(azepan-1-ylsulfonyl)-2-pyridyl]thio]ethanone Formula: C23H32N2O3S2 MolecularWeight: 448.64178

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)C34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C23H32N2O3S2/c26-21(23-12-17-9-18(13-23)11-19(10-17)14-23)16-29-22-6-5-20(15-24-22)30(27,28)25-7-3-1-2-4-8-25/h5-6,15,17-19H,1-4,7-14,16H2