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

Systemtic Name: 2-[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]sulfanylethanoic acid Openeye Name: 2-[3,5-dimethyl-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]sulfanylacetic acid CAS Name: 2-[[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]thio]acetic acid IUPAC Name: 2-[3,5-dimethyl-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]sulfanylacetic acid Traditional Name: 2-[[3,5-dimethyl-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]thio]acetic acid Formula: C23H20N2O5S2 MolecularWeight: 468.5453

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H20N2O5S2/c1-14-9-17(31-13-22(26)27)10-15(2)23(14)30-16-3-4-20-19(11-16)21(12-25-20)32(28,29)18-5-7-24-8-6-18/h3-12,25H,13H2,1-2H3,(H,26,27)