2-[5-fluoranyl-2,4-dimethyl-1-(4-methylsulfonylphenyl)sulfonyl-indol-3-yl]ethanoic acid

Systemtic Name: 2-[5-fluoranyl-2,4-dimethyl-1-(4-methylsulfonylphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2,4-dimethyl-1-(4-methylsulfonylphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2,4-dimethyl-1-(4-methylsulfonylphenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2,4-dimethyl-1-(4-methylsulfonylphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-1-(4-mesylphenyl)sulfonyl-2,4-dimethyl-indol-3-yl]acetic acid Formula: C19H18FNO6S2 MolecularWeight: 439.477723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)C)CC(=O)O)F

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2S(=O)(=O)C3=CC=C(C=C3)S(=O)(=O)C)C)CC(=O)O)F

InChI

InChI=1S/C19H18FNO6S2/c1-11-16(20)8-9-17-19(11)15(10-18(22)23)12(2)21(17)29(26,27)14-6-4-13(5-7-14)28(3,24)25/h4-9H,10H2,1-3H3,(H,22,23)