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

Systemtic Name: 2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]sulfanylethanoic acid Openeye Name: 2-[3,5-dimethyl-4-[[3-(p-tolylsulfonyl)-1H-indol-5-yl]oxy]phenyl]sulfanylacetic acid CAS Name: 2-[[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]thio]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-[[3-(4-methylphenyl)sulfonyl-1H-indol-5-yl]oxy]phenyl]sulfanylacetic acid Traditional Name: 2-[[3,5-dimethyl-4-[(3-tosyl-1H-indol-5-yl)oxy]phenyl]thio]acetic acid Formula: C25H23NO5S2 MolecularWeight: 481.58382

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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)SCC(=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)SCC(=O)O)C

InChI

InChI=1S/C25H23NO5S2/c1-15-4-7-20(8-5-15)33(29,30)23-13-26-22-9-6-18(12-21(22)23)31-25-16(2)10-19(11-17(25)3)32-14-24(27)28/h4-13,26H,14H2,1-3H3,(H,27,28)