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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(3-methylsulfonylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-(3-methylsulfonylphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-(3-methylsulfonylphenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(3-methylsulfonylphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-1-(3-mesylphenyl)sulfonyl-2-methyl-indol-3-yl]acetic acid Formula: C18H16FNO6S2 MolecularWeight: 425.451143

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O

Isomeric SMILES

CC1=C(C2=C(N1S(=O)(=O)C3=CC=CC(=C3)S(=O)(=O)C)C=CC(=C2)F)CC(=O)O

InChI

InChI=1S/C18H16FNO6S2/c1-11-15(10-18(21)22)16-8-12(19)6-7-17(16)20(11)28(25,26)14-5-3-4-13(9-14)27(2,23)24/h3-9H,10H2,1-2H3,(H,21,22)