3-methylsulfonyl-4-morpholin-4-yl-benzoic acid

Systemtic Name: 3-methylsulfonyl-4-morpholin-4-yl-benzoic acid Openeye Name: 3-methylsulfonyl-4-morpholino-benzoic acid CAS Name: 3-methylsulfonyl-4-(4-morpholinyl)benzoic acid IUPAC Name: 3-methylsulfonyl-4-morpholin-4-ylbenzoic acid Traditional Name: 3-mesyl-4-morpholino-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCOCC2

Isomeric SMILES

CS(=O)(=O)C1=C(C=CC(=C1)C(=O)O)N2CCOCC2

InChI

InChI=1S/C12H15NO5S/c1-19(16,17)11-8-9(12(14)15)2-3-10(11)13-4-6-18-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)