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

Systemtic Name: N-(tert-butylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(tert-butylcarbamoyl)-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(tert-butylamino)-oxomethyl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(tert-butylcarbamoyl)-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(tert-butylcarbamoyl)-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C16H24N4O4S2 MolecularWeight: 400.51616

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)NC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

Isomeric SMILES

CC(C)(C)NC(=O)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H24N4O4S2/c1-16(2,3)19-15(22)18-13(21)11-25-14-7-6-12(10-17-14)26(23,24)20-8-4-5-9-20/h6-7,10H,4-5,8-9,11H2,1-3H3,(H2,18,19,21,22)