5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-fluoranyl-benzoic acid

Systemtic Name: 5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-fluoranyl-benzoic acid Openeye Name: 5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-fluoro-benzoic acid CAS Name: 5-[[2-[dimethylamino(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-fluorobenzoic acid IUPAC Name: 5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-fluorobenzoic acid Traditional Name: 5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-fluoro-benzoic acid Formula: C18H17FN2O6S MolecularWeight: 408.400783

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

Isomeric SMILES

CN(C)C(=O)C1CN(C2=CC=CC=C2O1)S(=O)(=O)C3=CC(=C(C=C3)F)C(=O)O

InChI

InChI=1S/C18H17FN2O6S/c1-20(2)17(22)16-10-21(14-5-3-4-6-15(14)27-16)28(25,26)11-7-8-13(19)12(9-11)18(23)24/h3-9,16H,10H2,1-2H3,(H,23,24)