(2R)-N-(1-adamantyl)-2-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide

Systemtic Name: (2R)-N-(1-adamantyl)-2-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanyl-propanamide Openeye Name: (2R)-N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-2-pyridyl]sulfanyl]propanamide CAS Name: (2R)-N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2R)-N-(1-adamantyl)-2-[5-(dimethylsulfamoyl)pyridin-2-yl]sulfanylpropanamide Traditional Name: (2R)-N-(1-adamantyl)-2-[[5-(dimethylsulfamoyl)-2-pyridyl]thio]propionamide Formula: C20H29N3O3S2 MolecularWeight: 423.59256

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@H](C(=O)NC12CC3CC(C1)CC(C3)C2)SC4=NC=C(C=C4)S(=O)(=O)N(C)C

InChI

InChI=1S/C20H29N3O3S2/c1-13(27-18-5-4-17(12-21-18)28(25,26)23(2)3)19(24)22-20-9-14-6-15(10-20)8-16(7-14)11-20/h4-5,12-16H,6-11H2,1-3H3,(H,22,24)/t13-,14?,15?,16?,20?/m1/s1