2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]-methoxycarbonyl-amino]-5-(methylsulfonylamino)benzoic acid

Systemtic Name: 2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]-methoxycarbonyl-amino]-5-(methylsulfonylamino)benzoic acid Openeye Name: 2-[[5-(4-fluorophenyl)benzofuran-2-yl]-methoxycarbonyl-amino]-5-(methanesulfonamido)benzoic acid CAS Name: 2-[[5-(4-fluorophenyl)-2-benzofuranyl]-methoxycarbonylamino]-5-(methanesulfonamido)benzoic acid IUPAC Name: 2-[[5-(4-fluorophenyl)-1-benzofuran-2-yl]-methoxycarbonylamino]-5-(methanesulfonamido)benzoic acid Traditional Name: 2-[carbomethoxy-[5-(4-fluorophenyl)benzofuran-2-yl]amino]-5-(methanesulfonamido)benzoic acid Formula: C24H19FN2O7S MolecularWeight: 498.480263

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)N(C1=C(C=C(C=C1)NS(=O)(=O)C)C(=O)O)C2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)F

Isomeric SMILES

COC(=O)N(C1=C(C=C(C=C1)NS(=O)(=O)C)C(=O)O)C2=CC3=C(O2)C=CC(=C3)C4=CC=C(C=C4)F

InChI

InChI=1S/C24H19FN2O7S/c1-33-24(30)27(20-9-8-18(26-35(2,31)32)13-19(20)23(28)29)22-12-16-11-15(5-10-21(16)34-22)14-3-6-17(25)7-4-14/h3-13,26H,1-2H3,(H,28,29)