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

Systemtic Name: N-[(2S)-2-cyano-3-methyl-butan-2-yl]-2-(3,5-dimethyl-4-piperidin-1-ylsulfonyl-pyrazol-1-yl)ethanamide Openeye Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-[3,5-dimethyl-4-(1-piperidylsulfonyl)pyrazol-1-yl]acetamide CAS Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-[3,5-dimethyl-4-(1-piperidinylsulfonyl)-1-pyrazolyl]acetamide IUPAC Name: N-[(2S)-2-cyano-3-methylbutan-2-yl]-2-(3,5-dimethyl-4-piperidin-1-ylsulfonylpyrazol-1-yl)acetamide Traditional Name: N-[(1S)-1-cyano-1,2-dimethyl-propyl]-2-(3,5-dimethyl-4-piperidinosulfonyl-pyrazol-1-yl)acetamide Formula: C18H29N5O3S MolecularWeight: 395.51956

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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)N2CCCCC2

Isomeric SMILES

CC1=C(C(=NN1CC(=O)N[C@](C)(C#N)C(C)C)C)S(=O)(=O)N2CCCCC2

InChI

InChI=1S/C18H29N5O3S/c1-13(2)18(5,12-19)20-16(24)11-23-15(4)17(14(3)21-23)27(25,26)22-9-7-6-8-10-22/h13H,6-11H2,1-5H3,(H,20,24)/t18-/m1/s1