4-methoxy-3-thiomorpholin-4-ylsulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-thiomorpholin-4-ylsulfonyl-benzoic acid Openeye Name: 4-methoxy-3-thiomorpholinosulfonyl-benzoic acid CAS Name: 4-methoxy-3-thiomorpholin-4-ylsulfonylbenzoic acid IUPAC Name: 4-methoxy-3-thiomorpholin-4-ylsulfonylbenzoic acid Traditional Name: 4-methoxy-3-thiomorpholinosulfonyl-benzoic acid Formula: C12H15NO5S2 MolecularWeight: 317.3812

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCSCC2

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)S(=O)(=O)N2CCSCC2

InChI

InChI=1S/C12H15NO5S2/c1-18-10-3-2-9(12(14)15)8-11(10)20(16,17)13-4-6-19-7-5-13/h2-3,8H,4-7H2,1H3,(H,14,15)