2-[3-[[1-benzofuran-2-ylmethyl(pyridin-3-ylsulfonyl)amino]methyl]phenyl]ethanoic acid

Systemtic Name: 2-[3-[[1-benzofuran-2-ylmethyl(pyridin-3-ylsulfonyl)amino]methyl]phenyl]ethanoic acid Openeye Name: 2-[3-[[benzofuran-2-ylmethyl(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid CAS Name: 2-[3-[[2-benzofuranylmethyl(3-pyridinylsulfonyl)amino]methyl]phenyl]acetic acid IUPAC Name: 2-[3-[[1-benzofuran-2-ylmethyl(pyridin-3-ylsulfonyl)amino]methyl]phenyl]acetic acid Traditional Name: 2-[3-[[benzofuran-2-ylmethyl(3-pyridylsulfonyl)amino]methyl]phenyl]acetic acid Formula: C23H20N2O5S MolecularWeight: 436.4803

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(O2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C=C(O2)CN(CC3=CC=CC(=C3)CC(=O)O)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C23H20N2O5S/c26-23(27)12-17-5-3-6-18(11-17)15-25(31(28,29)21-8-4-10-24-14-21)16-20-13-19-7-1-2-9-22(19)30-20/h1-11,13-14H,12,15-16H2,(H,26,27)