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

Systemtic Name: 2-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]sulfanylethanoic acid Openeye Name: 2-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]sulfanylacetic acid CAS Name: 2-[[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]thio]acetic acid IUPAC Name: 2-[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethylphenyl]sulfanylacetic acid Traditional Name: 2-[[4-[[3-(4-methoxyphenyl)sulfonyl-1H-indol-5-yl]oxy]-3,5-dimethyl-phenyl]thio]acetic acid Formula: C25H23NO6S2 MolecularWeight: 497.58322

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3S(=O)(=O)C4=CC=C(C=C4)OC)C)SCC(=O)O

Isomeric SMILES

CC1=CC(=CC(=C1OC2=CC3=C(C=C2)NC=C3S(=O)(=O)C4=CC=C(C=C4)OC)C)SCC(=O)O

InChI

InChI=1S/C25H23NO6S2/c1-15-10-19(33-14-24(27)28)11-16(2)25(15)32-18-6-9-22-21(12-18)23(13-26-22)34(29,30)20-7-4-17(31-3)5-8-20/h4-13,26H,14H2,1-3H3,(H,27,28)