(2S)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: (2S)-N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: (2S)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(5-morpholinosulfonyl-2-pyridyl)sulfanyl]propanamide CAS Name: (2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[[5-(4-morpholinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: (2S)-N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(5-morpholin-4-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: (2S)-N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[(5-morpholinosulfonyl-2-pyridyl)thio]propionamide Formula: C18H26N4O4S2 MolecularWeight: 426.55344

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C)(C#N)NC(=O)C(C)SC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

Isomeric SMILES

C[C@@H](C(=O)N[C@](C)(C#N)C(C)C)SC1=NC=C(C=C1)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C18H26N4O4S2/c1-13(2)18(4,12-19)21-17(23)14(3)27-16-6-5-15(11-20-16)28(24,25)22-7-9-26-10-8-22/h5-6,11,13-14H,7-10H2,1-4H3,(H,21,23)/t14-,18+/m0/s1