N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide

Systemtic Name: N-[(4-fluoranyl-3-methyl-phenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-[(4-fluoro-3-methyl-phenyl)methyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-[(4-fluoro-3-methylphenyl)methyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(4-fluoro-3-methyl-benzyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C20H24FN3O3S2 MolecularWeight: 437.551263

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)F

Isomeric SMILES

CC1=C(C=CC(=C1)CNC(=O)CSC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)F

InChI

InChI=1S/C20H24FN3O3S2/c1-15-11-16(5-7-18(15)21)12-22-19(25)14-28-20-8-6-17(13-23-20)29(26,27)24-9-3-2-4-10-24/h5-8,11,13H,2-4,9-10,12,14H2,1H3,(H,22,25)