N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-4-(1-piperidylsulfonylmethyl)benzamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-4-(1-piperidinylsulfonylmethyl)benzamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-4-(piperidinosulfonylmethyl)benzamide Formula: C22H26ClFN2O3S2 MolecularWeight: 485.034843

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H26ClFN2O3S2/c23-20-5-4-6-21(24)19(20)15-30-14-11-25-22(27)18-9-7-17(8-10-18)16-31(28,29)26-12-2-1-3-13-26/h4-10H,1-3,11-16H2,(H,25,27)