3-[3-[[1-benzofuran-2-ylmethyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid

Systemtic Name: 3-[3-[[1-benzofuran-2-ylmethyl(phenylsulfonyl)amino]methyl]phenyl]propanoic acid Openeye Name: 3-[3-[[benzenesulfonyl(benzofuran-2-ylmethyl)amino]methyl]phenyl]propanoic acid CAS Name: 3-[3-[[benzenesulfonyl(2-benzofuranylmethyl)amino]methyl]phenyl]propanoic acid IUPAC Name: 3-[3-[[benzenesulfonyl(1-benzofuran-2-ylmethyl)amino]methyl]phenyl]propanoic acid Traditional Name: 3-[3-[[benzofuran-2-ylmethyl(besyl)amino]methyl]phenyl]propionic acid Formula: C25H23NO5S MolecularWeight: 449.51882

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC(=C2)CCC(=O)O)CC3=CC4=CC=CC=C4O3

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)N(CC2=CC=CC(=C2)CCC(=O)O)CC3=CC4=CC=CC=C4O3

InChI

InChI=1S/C25H23NO5S/c27-25(28)14-13-19-7-6-8-20(15-19)17-26(32(29,30)23-10-2-1-3-11-23)18-22-16-21-9-4-5-12-24(21)31-22/h1-12,15-16H,13-14,17-18H2,(H,27,28)