2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]-3-[2-(phenylsulfonylamino)phenyl]propanoic acid

Systemtic Name: 2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]-3-[2-(phenylsulfonylamino)phenyl]propanoic acid Openeye Name: 3-[2-(benzenesulfonamido)phenyl]-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]propanoic acid CAS Name: 3-[2-(benzenesulfonamido)phenyl]-2-[[oxo-[(5-phenyl-2-benzofuranyl)methoxy]methyl]amino]propanoic acid IUPAC Name: 3-[2-(benzenesulfonamido)phenyl]-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Traditional Name: 3-[2-(benzenesulfonamido)phenyl]-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]propionic acid Formula: C31H26N2O7S MolecularWeight: 570.61234

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=CC=C4NS(=O)(=O)C5=CC=CC=C5)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=CC3=C(C=C2)OC(=C3)COC(=O)NC(CC4=CC=CC=C4NS(=O)(=O)C5=CC=CC=C5)C(=O)O

InChI

InChI=1S/C31H26N2O7S/c34-30(35)28(19-23-11-7-8-14-27(23)33-41(37,38)26-12-5-2-6-13-26)32-31(36)39-20-25-18-24-17-22(15-16-29(24)40-25)21-9-3-1-4-10-21/h1-18,28,33H,19-20H2,(H,32,36)(H,34,35)