3-bromanyl-4-(2,2-dimethylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 3-bromanyl-4-(2,2-dimethylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 3-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 3-bromo-4-[(2,2-dimethyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 3-bromo-4-(2,2-dimethylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 3-bromo-4-(2,2-dimethylmorpholino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CN(CCO1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br)C

Isomeric SMILES

CC1(CN(CCO1)S(=O)(=O)C2=C(C=C(C=C2)C(=O)O)Br)C

InChI

InChI=1S/C13H16BrNO5S/c1-13(2)8-15(5-6-20-13)21(18,19)11-4-3-9(12(16)17)7-10(11)14/h3-4,7H,5-6,8H2,1-2H3,(H,16,17)