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

Systemtic Name: N-(1-adamantylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(1-adamantylcarbamoyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: N-[(1-adamantylamino)-oxomethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(1-adamantylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(1-adamantylcarbamoyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]propionamide Formula: C23H32N4O4S2 MolecularWeight: 492.65458

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H32N4O4S2/c1-15(32-20-5-4-19(14-24-20)33(30,31)27-6-2-3-7-27)21(28)25-22(29)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h4-5,14-18H,2-3,6-13H2,1H3,(H2,25,26,28,29)