2-[5-fluoranyl-2-methyl-3-(2-methylsulfonylethylsulfonyl)indol-1-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2-methyl-3-(2-methylsulfonylethylsulfonyl)indol-1-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-3-(2-methylsulfonylethylsulfonyl)indol-1-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-3-(2-methylsulfonylethylsulfonyl)-1-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-3-(2-methylsulfonylethylsulfonyl)indol-1-yl]acetic acid Traditional Name: 2-[5-fluoro-3-(2-mesylethylsulfonyl)-2-methyl-indol-1-yl]acetic acid Formula: C14H16FNO6S2 MolecularWeight: 377.408343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16FNO6S2/c1-9-14(24(21,22)6-5-23(2,19)20)11-7-10(15)3-4-12(11)16(9)8-13(17)18/h3-4,7H,5-6,8H2,1-2H3,(H,17,18)