2-bromanyl-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 2-bromanyl-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 2-bromo-5-(2,6-dimethylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 2-bromo-5-[(2,6-dimethyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 2-bromo-5-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 2-bromo-5-(2,6-dimethylmorpholino)sulfonyl-benzoic acid Formula: C13H16BrNO5S MolecularWeight: 378.23884

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CC(O1)C)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

Isomeric SMILES

CC1CN(CC(O1)C)S(=O)(=O)C2=CC(=C(C=C2)Br)C(=O)O

InChI

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