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

Systemtic Name: N-(3-chloranyl-4-fluoranyl-phenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanyl-ethanamide Openeye Name: N-(3-chloro-4-fluoro-phenyl)-2-[[5-(1-piperidylsulfonyl)-2-pyridyl]sulfanyl]acetamide CAS Name: N-(3-chloro-4-fluorophenyl)-2-[[5-(1-piperidinylsulfonyl)-2-pyridinyl]thio]acetamide IUPAC Name: N-(3-chloro-4-fluorophenyl)-2-(5-piperidin-1-ylsulfonylpyridin-2-yl)sulfanylacetamide Traditional Name: N-(3-chloro-4-fluoro-phenyl)-2-[(5-piperidinosulfonyl-2-pyridyl)thio]acetamide Formula: C18H19ClFN3O3S2 MolecularWeight: 443.943163

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CN=C(C=C2)SCC(=O)NC3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C18H19ClFN3O3S2/c19-15-10-13(4-6-16(15)20)22-17(24)12-27-18-7-5-14(11-21-18)28(25,26)23-8-2-1-3-9-23/h4-7,10-11H,1-3,8-9,12H2,(H,22,24)