N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonyl-benzamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-2-methyl-5-(1-piperidylsulfonyl)benzamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-2-methyl-5-(1-piperidinylsulfonyl)benzamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-2-methyl-5-piperidinosulfonyl-benzamide Formula: C22H26ClFN2O3S2 MolecularWeight: 485.034843

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C22H26ClFN2O3S2/c1-16-8-9-17(31(28,29)26-11-3-2-4-12-26)14-18(16)22(27)25-10-13-30-15-19-20(23)6-5-7-21(19)24/h5-9,14H,2-4,10-13,15H2,1H3,(H,25,27)