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

Systemtic Name: 5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-methyl-benzoic acid Openeye Name: 5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-methyl-benzoic acid CAS Name: 5-[[2-[dimethylamino(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-methylbenzoic acid Traditional Name: 5-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-2-methyl-benzoic acid Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N(C)C)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CC(OC3=CC=CC=C32)C(=O)N(C)C)C(=O)O

InChI

InChI=1S/C19H20N2O6S/c1-12-8-9-13(10-14(12)19(23)24)28(25,26)21-11-17(18(22)20(2)3)27-16-7-5-4-6-15(16)21/h4-10,17H,11H2,1-3H3,(H,23,24)