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

Systemtic Name: 2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]-3-[3-(phenylsulfonylamino)phenyl]propanoic acid Openeye Name: 3-[3-(benzenesulfonamido)phenyl]-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]propanoic acid CAS Name: 3-[3-(benzenesulfonamido)phenyl]-2-[[oxo-[(5-phenyl-2-benzofuranyl)methoxy]methyl]amino]propanoic acid IUPAC Name: 3-[3-(benzenesulfonamido)phenyl]-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]propanoic acid Traditional Name: 3-[3-(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=C4)NS(=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=C4)NS(=O)(=O)C5=CC=CC=C5)C(=O)O

InChI

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