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

Systemtic Name: 2-[3,5-bis(bromanyl)-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]sulfanylethanoic acid Openeye Name: 2-[3,5-dibromo-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]sulfanylacetic acid CAS Name: 2-[[3,5-dibromo-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]thio]acetic acid IUPAC Name: 2-[3,5-dibromo-4-[(3-pyridin-4-ylsulfonyl-1H-indol-5-yl)oxy]phenyl]sulfanylacetic acid Traditional Name: 2-[[3,5-dibromo-4-[[3-(4-pyridylsulfonyl)-1H-indol-5-yl]oxy]phenyl]thio]acetic acid Formula: C21H14Br2N2O5S2 MolecularWeight: 598.28426

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C=C1OC3=C(C=C(C=C3Br)SCC(=O)O)Br)C(=CN2)S(=O)(=O)C4=CC=NC=C4

Isomeric SMILES

C1=CC2=C(C=C1OC3=C(C=C(C=C3Br)SCC(=O)O)Br)C(=CN2)S(=O)(=O)C4=CC=NC=C4

InChI

InChI=1S/C21H14Br2N2O5S2/c22-16-8-13(31-11-20(26)27)9-17(23)21(16)30-12-1-2-18-15(7-12)19(10-25-18)32(28,29)14-3-5-24-6-4-14/h1-10,25H,11H2,(H,26,27)