N-[(2S)-3-methylbutan-2-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(2S)-3-methylbutan-2-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1S)-1,2-dimethylpropyl]-2-[(5-pyrrolidin-1-ylsulfonyl-2-pyridyl)sulfanyl]acetamide CAS Name: N-[(2S)-3-methylbutan-2-yl]-2-[[5-(1-pyrrolidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(2S)-3-methylbutan-2-yl]-2-(5-pyrrolidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1S)-1,2-dimethylpropyl]-2-[(5-pyrrolidinosulfonyl-2-pyridyl)thio]acetamide Formula: C16H25N3O3S2 MolecularWeight: 371.518

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

C[C@@H](C(C)C)NC(=O)CSC1=NC=C(C=C1)S(=O)(=O)N2CCCC2

InChI

InChI=1S/C16H25N3O3S2/c1-12(2)13(3)18-15(20)11-23-16-7-6-14(10-17-16)24(21,22)19-8-4-5-9-19/h6-7,10,12-13H,4-5,8-9,11H2,1-3H3,(H,18,20)/t13-/m0/s1