(2R)-N-(1-adamantylcarbamoyl)-2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantylcarbamoyl)-2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantylcarbamoyl)-2-[[5-(diethylsulfamoyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-N-[(1-adamantylamino)-oxomethyl]-2-[[5-(diethylsulfamoyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-(1-adamantylcarbamoyl)-2-[5-(diethylsulfamoyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantylcarbamoyl)-2-[[5-(diethylsulfamoyl)-2-pyridyl]thio]propionamide Formula: C23H34N4O4S2 MolecularWeight: 494.67046

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)SC(C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CN=C(C=C1)S[C@H](C)C(=O)NC(=O)NC23CC4CC(C2)CC(C4)C3

InChI

InChI=1S/C23H34N4O4S2/c1-4-27(5-2)33(30,31)19-6-7-20(24-14-19)32-15(3)21(28)25-22(29)26-23-11-16-8-17(12-23)10-18(9-16)13-23/h6-7,14-18H,4-5,8-13H2,1-3H3,(H2,25,26,28,29)/t15-,16?,17?,18?,23?/m1/s1