1-[2,5-bis(fluoranyl)phenyl]-2-(5-chloranylpyridin-2-yl)sulfonyl-heptan-1-one

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]-2-(5-chloranylpyridin-2-yl)sulfonyl-heptan-1-one Openeye Name: 2-[(5-chloro-2-pyridyl)sulfonyl]-1-(2,5-difluorophenyl)heptan-1-one CAS Name: 2-[(5-chloro-2-pyridinyl)sulfonyl]-1-(2,5-difluorophenyl)-1-heptanone IUPAC Name: 2-(5-chloropyridin-2-yl)sulfonyl-1-(2,5-difluorophenyl)heptan-1-one Traditional Name: 2-[(5-chloro-2-pyridyl)sulfonyl]-1-(2,5-difluorophenyl)heptan-1-one Formula: C18H18ClF2NO3S MolecularWeight: 401.855226

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C(=O)C1=C(C=CC(=C1)F)F)S(=O)(=O)C2=NC=C(C=C2)Cl

Isomeric SMILES

CCCCCC(C(=O)C1=C(C=CC(=C1)F)F)S(=O)(=O)C2=NC=C(C=C2)Cl

InChI

InChI=1S/C18H18ClF2NO3S/c1-2-3-4-5-16(18(23)14-10-13(20)7-8-15(14)21)26(24,25)17-9-6-12(19)11-22-17/h6-11,16H,2-5H2,1H3