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

Systemtic Name: 2-[5-fluoranyl-2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2-methyl-1-(4-methylsulfanylphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2-methyl-1-[4-(methylthio)phenyl]sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2-methyl-1-(4-methylsulfanylphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2-methyl-1-[4-(methylthio)phenyl]sulfonyl-indol-3-yl]acetic acid Formula: C18H16FNO4S2 MolecularWeight: 393.452343

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16FNO4S2/c1-11-15(10-18(21)22)16-9-12(19)3-8-17(16)20(11)26(23,24)14-6-4-13(25-2)5-7-14/h3-9H,10H2,1-2H3,(H,21,22)