N-(1-adamantylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C22H30N4O4S2 MolecularWeight: 478.628

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC(=O)NC34CC5CC(C3)CC(C5)C4

InChI

InChI=1S/C22H30N4O4S2/c27-19(24-21(28)25-22-10-15-7-16(11-22)9-17(8-15)12-22)14-31-20-4-3-18(13-23-20)32(29,30)26-5-1-2-6-26/h3-4,13,15-17H,1-2,5-12,14H2,(H2,24,25,27,28)