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

Systemtic Name: 3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4,5-dimethyl-benzoic acid Openeye Name: 3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4,5-dimethyl-benzoic acid CAS Name: 3-[[2-[dimethylamino(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4,5-dimethylbenzoic acid IUPAC Name: 3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4,5-dimethylbenzoic acid Traditional Name: 3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]-4,5-dimethyl-benzoic acid Formula: C20H22N2O6S MolecularWeight: 418.46348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6S/c1-12-9-14(20(24)25)10-18(13(12)2)29(26,27)22-11-17(19(23)21(3)4)28-16-8-6-5-7-15(16)22/h5-10,17H,11H2,1-4H3,(H,24,25)