2-[5-fluoranyl-2-methyl-3-[1-(4-methylsulfonylphenyl)ethyl]indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-3-[1-(4-methylsulfonylphenyl)ethyl]indol-1-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-3-[1-(4-methylsulfonylphenyl)ethyl]indol-1-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-3-[1-(4-methylsulfonylphenyl)ethyl]-1-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-3-[1-(4-methylsulfonylphenyl)ethyl]indol-1-yl]acetic acid Traditional Name: 2-[5-fluoro-3-[1-(4-mesylphenyl)ethyl]-2-methyl-indol-1-yl]acetic acid Formula: C20H20FNO4S MolecularWeight: 389.440503

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)C(C)C3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC1=C(C2=C(N1CC(=O)O)C=CC(=C2)F)C(C)C3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C20H20FNO4S/c1-12(14-4-7-16(8-5-14)27(3,25)26)20-13(2)22(11-19(23)24)18-9-6-15(21)10-17(18)20/h4-10,12H,11H2,1-3H3,(H,23,24)