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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)F

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)C(C)SC2=NC=C(C=C2)S(=O)(=O)N3CCCCC3)F

InChI

InChI=1S/C20H24FN3O3S2/c1-14-6-7-16(12-18(14)21)23-20(25)15(2)28-19-9-8-17(13-22-19)29(26,27)24-10-4-3-5-11-24/h6-9,12-13,15H,3-5,10-11H2,1-2H3,(H,23,25)