4-bromanyl-3-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid

Systemtic Name: 4-bromanyl-3-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid Openeye Name: 4-bromo-3-(2-methylmorpholin-4-yl)sulfonyl-benzoic acid CAS Name: 4-bromo-3-[(2-methyl-4-morpholinyl)sulfonyl]benzoic acid IUPAC Name: 4-bromo-3-(2-methylmorpholin-4-yl)sulfonylbenzoic acid Traditional Name: 4-bromo-3-(2-methylmorpholino)sulfonyl-benzoic acid Formula: C12H14BrNO5S MolecularWeight: 364.21226

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Descriptors Computed from Structure

Canonical SMILES:

CC1CN(CCO1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

Isomeric SMILES

CC1CN(CCO1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)O)Br

InChI

InChI=1S/C12H14BrNO5S/c1-8-7-14(4-5-19-8)20(17,18)11-6-9(12(15)16)2-3-10(11)13/h2-3,6,8H,4-5,7H2,1H3,(H,15,16)