N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)ethanamide

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonyl-pyrazol-1-yl)ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3,5-dimethyl-4-(4-morpholinylsulfonyl)-1-pyrazolyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethyl-4-morpholin-4-ylsulfonylpyrazol-1-yl)acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(3,5-dimethyl-4-morpholinosulfonyl-pyrazol-1-yl)acetamide Formula: C17H27N5O4S MolecularWeight: 397.49238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC(=O)NC(C)(C#N)C(C)C)C)S(=O)(=O)N2CCOCC2

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@](C)(C#N)C(C)C)C)S(=O)(=O)N2CCOCC2

InChI

InChI=1S/C17H27N5O4S/c1-12(2)17(5,11-18)19-15(23)10-22-14(4)16(13(3)20-22)27(24,25)21-6-8-26-9-7-21/h12H,6-10H2,1-5H3,(H,19,23)/t17-/m1/s1