3,4-dimethyl-5-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid

Systemtic Name: 3,4-dimethyl-5-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonyl-4,5-dimethyl-benzoic acid Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H17NO5S/c1-7-5-10(13(16)17)6-11(8(7)2)20(18,19)9(3)12(15)14-4/h5-6,9H,1-4H3,(H,14,15)(H,16,17)