4-methoxy-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 4-methoxy-3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 4-methoxy-3-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 4-methoxy-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 4-methoxy-3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-4-methoxy-benzoic acid Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC

Isomeric SMILES

CC(C(=O)NC)S(=O)(=O)C1=C(C=CC(=C1)C(=O)O)OC

InChI

InChI=1S/C12H15NO6S/c1-7(11(14)13-2)20(17,18)10-6-8(12(15)16)4-5-9(10)19-3/h4-7H,1-3H3,(H,13,14)(H,15,16)