1-(1-adamantyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(1-adamantyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(1-adamantyl)-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propan-1-one CAS Name: 1-(1-adamantyl)-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]-1-propanone IUPAC Name: 1-(1-adamantyl)-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropan-1-one Traditional Name: 1-(1-adamantyl)-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propan-1-one Formula: C22H30N2O4S2 MolecularWeight: 450.6146

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)S(=O)(=O)N5CCOCC5

Isomeric SMILES

CC(C(=O)C12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)S(=O)(=O)N5CCOCC5

InChI

InChI=1S/C22H30N2O4S2/c1-15(21(25)22-11-16-8-17(12-22)10-18(9-16)13-22)29-20-3-2-19(14-23-20)30(26,27)24-4-6-28-7-5-24/h2-3,14-18H,4-13H2,1H3