2-[4-[1-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)sulfonyl-propyl-amino]propan-2-ylsulfanyl]-2-methyl-phenoxy]ethanoic acid

Systemtic Name: 2-[4-[1-[(5-chloranyl-3-methyl-1-benzofuran-2-yl)sulfonyl-propyl-amino]propan-2-ylsulfanyl]-2-methyl-phenoxy]ethanoic acid Openeye Name: 2-[4-[2-[(5-chloro-3-methyl-benzofuran-2-yl)sulfonyl-propyl-amino]-1-methyl-ethyl]sulfanyl-2-methyl-phenoxy]acetic acid CAS Name: 2-[4-[1-[(5-chloro-3-methyl-2-benzofuranyl)sulfonyl-propylamino]propan-2-ylthio]-2-methylphenoxy]acetic acid IUPAC Name: 2-[4-[1-[(5-chloro-3-methyl-1-benzofuran-2-yl)sulfonyl-propylamino]propan-2-ylsulfanyl]-2-methylphenoxy]acetic acid Traditional Name: 2-[4-[[2-[(5-chloro-3-methyl-benzofuran-2-yl)sulfonyl-propyl-amino]-1-methyl-ethyl]thio]-2-methyl-phenoxy]acetic acid Formula: C24H28ClNO6S2 MolecularWeight: 526.06522

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(C)SC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C

Isomeric SMILES

CCCN(CC(C)SC1=CC(=C(C=C1)OCC(=O)O)C)S(=O)(=O)C2=C(C3=C(O2)C=CC(=C3)Cl)C

InChI

InChI=1S/C24H28ClNO6S2/c1-5-10-26(34(29,30)24-17(4)20-12-18(25)6-8-22(20)32-24)13-16(3)33-19-7-9-21(15(2)11-19)31-14-23(27)28/h6-9,11-12,16H,5,10,13-14H2,1-4H3,(H,27,28)