N-(tert-butylcarbamoyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-(tert-butylcarbamoyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C18H28N4O4S2 MolecularWeight: 428.56932

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2

Isomeric SMILES

CC(C(=O)NC(=O)NC(C)(C)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H28N4O4S2/c1-13(16(23)20-17(24)21-18(2,3)4)27-15-9-8-14(12-19-15)28(25,26)22-10-6-5-7-11-22/h8-9,12-13H,5-7,10-11H2,1-4H3,(H2,20,21,23,24)