N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(1R)-1-cyano-1-cyclopropylethyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-[(1R)-1-cyano-1-cyclopropyl-ethyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H24N4O3S2 MolecularWeight: 408.53816

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Descriptors Computed from Structure

Canonical SMILES:

CC(C#N)(C1CC1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

Isomeric SMILES

C[C@](C#N)(C1CC1)NC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3

InChI

InChI=1S/C18H24N4O3S2/c1-18(13-19,14-5-6-14)21-16(23)12-26-17-8-7-15(11-20-17)27(24,25)22-9-3-2-4-10-22/h7-8,11,14H,2-6,9-10,12H2,1H3,(H,21,23)/t18-/m0/s1