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

Systemtic Name: 2-[5-fluoranyl-2,4-dimethyl-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]ethanoic acid Openeye Name: 2-[5-fluoro-2,4-dimethyl-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]acetic acid CAS Name: 2-[5-fluoro-2,4-dimethyl-1-(4-phenoxyphenyl)sulfonyl-3-indolyl]acetic acid IUPAC Name: 2-[5-fluoro-2,4-dimethyl-1-(4-phenoxyphenyl)sulfonylindol-3-yl]acetic acid Traditional Name: 2-[5-fluoro-2,4-dimethyl-1-(4-phenoxyphenyl)sulfonyl-indol-3-yl]acetic acid Formula: C24H20FNO5S MolecularWeight: 453.482703

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC2=C1C(=C(N2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C)CC(=O)O)F

Isomeric SMILES

CC1=C(C=CC2=C1C(=C(N2S(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)C)CC(=O)O)F

InChI

InChI=1S/C24H20FNO5S/c1-15-21(25)12-13-22-24(15)20(14-23(27)28)16(2)26(22)32(29,30)19-10-8-18(9-11-19)31-17-6-4-3-5-7-17/h3-13H,14H2,1-2H3,(H,27,28)