2-[5-[[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]sulfonyl]-2-methyl-phenyl]ethanoic acid

Systemtic Name: 2-[5-[[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]sulfonyl]-2-methyl-phenyl]ethanoic acid Openeye Name: 2-[5-[[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]sulfonyl]-2-methyl-phenyl]acetic acid CAS Name: 2-[5-[[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]sulfonyl]-2-methylphenyl]acetic acid IUPAC Name: 2-[5-[[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]sulfonyl]-2-methylphenyl]acetic acid Traditional Name: 2-[5-[[5-(4-fluorophenyl)-2,5-diazabicyclo[2.2.1]heptan-2-yl]sulfonyl]-2-methyl-phenyl]acetic acid Formula: C20H21FN2O4S MolecularWeight: 404.455143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC3CC2CN3C4=CC=C(C=C4)F)CC(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC3CC2CN3C4=CC=C(C=C4)F)CC(=O)O

InChI

InChI=1S/C20H21FN2O4S/c1-13-2-7-19(8-14(13)9-20(24)25)28(26,27)23-12-17-10-18(23)11-22(17)16-5-3-15(21)4-6-16/h2-8,17-18H,9-12H2,1H3,(H,24,25)