2-methyl-5-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 2-methyl-5-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 2-methyl-5-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 2-methyl-5-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 2-methyl-5-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 5-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-2-methyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C(C)C(=O)NC)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C(C)C(=O)NC)C(=O)O

InChI

InChI=1S/C12H15NO5S/c1-7-4-5-9(6-10(7)12(15)16)19(17,18)8(2)11(14)13-3/h4-6,8H,1-3H3,(H,13,14)(H,15,16)