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

Systemtic Name: 4-chloranyl-3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid Openeye Name: 4-chloro-3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid CAS Name: 4-chloro-3-[[2-[dimethylamino(oxo)methyl]-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid IUPAC Name: 4-chloro-3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid Traditional Name: 4-chloro-3-[[2-(dimethylcarbamoyl)-2,3-dihydro-1,4-benzoxazin-4-yl]sulfonyl]benzoic acid Formula: C18H17ClN2O6S MolecularWeight: 424.85538

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17ClN2O6S/c1-20(2)17(22)15-10-21(13-5-3-4-6-14(13)27-15)28(25,26)16-9-11(18(23)24)7-8-12(16)19/h3-9,15H,10H2,1-2H3,(H,23,24)