5-methylsulfonyl-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid

Systemtic Name: 5-methylsulfonyl-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Openeye Name: 5-methylsulfonyl-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]benzoic acid CAS Name: 5-methylsulfonyl-2-[[oxo-[(5-phenyl-2-benzofuranyl)methoxy]methyl]amino]benzoic acid IUPAC Name: 5-methylsulfonyl-2-[(5-phenyl-1-benzofuran-2-yl)methoxycarbonylamino]benzoic acid Traditional Name: 5-mesyl-2-[(5-phenylbenzofuran-2-yl)methoxycarbonylamino]benzoic acid Formula: C24H19NO7S MolecularWeight: 465.47516

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=CC=C4)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)NC(=O)OCC2=CC3=C(O2)C=CC(=C3)C4=CC=CC=C4)C(=O)O

InChI

InChI=1S/C24H19NO7S/c1-33(29,30)19-8-9-21(20(13-19)23(26)27)25-24(28)31-14-18-12-17-11-16(7-10-22(17)32-18)15-5-3-2-4-6-15/h2-13H,14H2,1H3,(H,25,28)(H,26,27)