N-(1-adamantyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(1-adamantyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-(1-adamantyl)-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1-adamantyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C22H31N3O3S2 MolecularWeight: 449.62984

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

Isomeric SMILES

CC(C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C22H31N3O3S2/c1-15(21(26)24-22-11-16-8-17(12-22)10-18(9-16)13-22)29-20-5-4-19(14-23-20)30(27,28)25-6-2-3-7-25/h4-5,14-18H,2-3,6-13H2,1H3,(H,24,26)