3-[3-[[1-benzofuran-2-ylmethyl-(4-fluorophenyl)sulfonyl-amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[1-benzofuran-2-ylmethyl-(4-fluorophenyl)sulfonyl-amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzofuran-2-ylmethyl-(4-fluorophenyl)sulfonyl-amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[2-benzofuranylmethyl-(4-fluorophenyl)sulfonylamino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[1-benzofuran-2-ylmethyl-(4-fluorophenyl)sulfonylamino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[benzofuran-2-ylmethyl-(4-fluorophenyl)sulfonyl-amino]methyl]phenyl]propionic acid Formula: C25H22FNO5S MolecularWeight: 467.509283

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H22FNO5S/c26-21-9-11-23(12-10-21)33(30,31)27(17-22-15-20-6-1-2-7-24(20)32-22)16-19-5-3-4-18(14-19)8-13-25(28)29/h1-7,9-12,14-15H,8,13,16-17H2,(H,28,29)