N-[1-(4-fluorophenyl)ethyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide

Systemtic Name: N-[1-(4-fluorophenyl)ethyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-propanamide Openeye Name: N-[1-(4-fluorophenyl)ethyl]-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]propanamide CAS Name: N-[1-(4-fluorophenyl)ethyl]-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]propanamide IUPAC Name: N-[1-(4-fluorophenyl)ethyl]-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylpropanamide Traditional Name: N-[1-(4-fluorophenyl)ethyl]-2-[(5-piperidinosulfonyl-2-pyridyl)thio]propionamide Formula: C21H26FN3O3S2 MolecularWeight: 451.577843

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H26FN3O3S2/c1-15(17-6-8-18(22)9-7-17)24-21(26)16(2)29-20-11-10-19(14-23-20)30(27,28)25-12-4-3-5-13-25/h6-11,14-16H,3-5,12-13H2,1-2H3,(H,24,26)