2-(5-fluoranyl-2,4-dimethyl-1-naphthalen-2-ylsulfonyl-indol-3-yl)ethanoic acid

Systemtic Name: 2-(5-fluoranyl-2,4-dimethyl-1-naphthalen-2-ylsulfonyl-indol-3-yl)ethanoic acid Openeye Name: 2-[5-fluoro-2,4-dimethyl-1-(2-naphthylsulfonyl)indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2,4-dimethyl-1-(2-naphthalenylsulfonyl)-3-indolyl]acetic acid IUPAC Name: 2-(5-fluoro-2,4-dimethyl-1-naphthalen-2-ylsulfonylindol-3-yl)acetic acid Traditional Name: 2-[5-fluoro-2,4-dimethyl-1-(2-naphthylsulfonyl)indol-3-yl]acetic acid Formula: C22H18FNO4S MolecularWeight: 411.446023

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)CC(=O)O)F

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2S(=O)(=O)C3=CC4=CC=CC=C4C=C3)C)CC(=O)O)F

InChI

InChI=1S/C22H18FNO4S/c1-13-19(23)9-10-20-22(13)18(12-21(25)26)14(2)24(20)29(27,28)17-8-7-15-5-3-4-6-16(15)11-17/h3-11H,12H2,1-2H3,(H,25,26)