2-[[2-methyl-3-[(3-phenylpropylsulfonylamino)methyl]-1-benzofuran-7-yl]oxy]ethanoic acid

Systemtic Name: 2-[[2-methyl-3-[(3-phenylpropylsulfonylamino)methyl]-1-benzofuran-7-yl]oxy]ethanoic acid Openeye Name: 2-[2-methyl-3-[(3-phenylpropylsulfonylamino)methyl]benzofuran-7-yl]oxyacetic acid CAS Name: 2-[[2-methyl-3-[(3-phenylpropylsulfonylamino)methyl]-7-benzofuranyl]oxy]acetic acid IUPAC Name: 2-[[2-methyl-3-[(3-phenylpropylsulfonylamino)methyl]-1-benzofuran-7-yl]oxy]acetic acid Traditional Name: 2-[2-methyl-3-[(3-phenylpropylsulfonylamino)methyl]benzofuran-7-yl]oxyacetic acid Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(O1)C(=CC=C2)OCC(=O)O)CNS(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C2=C(O1)C(=CC=C2)OCC(=O)O)CNS(=O)(=O)CCCC3=CC=CC=C3

InChI

InChI=1S/C21H23NO6S/c1-15-18(17-10-5-11-19(21(17)28-15)27-14-20(23)24)13-22-29(25,26)12-6-9-16-7-3-2-4-8-16/h2-5,7-8,10-11,22H,6,9,12-14H2,1H3,(H,23,24)