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

Systemtic Name: 3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid Openeye Name: 3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid CAS Name: 3-[[2-[dimethylamino(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid IUPAC Name: 3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid Traditional Name: 3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid Formula: C18H18N2O6S MolecularWeight: 390.41032

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N2O6S/c1-19(2)17(21)16-11-20(14-8-3-4-9-15(14)26-16)27(24,25)13-7-5-6-12(10-13)18(22)23/h3-10,16H,11H2,1-2H3,(H,22,23)