2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]ethanoic acid

Systemtic Name: 2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]ethanoic acid Openeye Name: 2-[3,5-dimethyl-4-[[3-(p-tolylsulfonyl)-1H-indol-5-yl]oxy]phenyl]acetic acid CAS Name: 2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]acetic acid Traditional Name: 2-[3,5-dimethyl-4-[(3-tosyl-1H-indol-5-yl)oxy]phenyl]acetic acid Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C2C=C(C=C3)OC4=C(C=C(C=C4C)CC(=O)O)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CNC3=C2C=C(C=C3)OC4=C(C=C(C=C4C)CC(=O)O)C

InChI

InChI=1S/C25H23NO5S/c1-15-4-7-20(8-5-15)32(29,30)23-14-26-22-9-6-19(13-21(22)23)31-25-16(2)10-18(11-17(25)3)12-24(27)28/h4-11,13-14,26H,12H2,1-3H3,(H,27,28)