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

Systemtic Name: 3,4-dimethyl-5-[2-(methylamino)-2-oxidanylidene-ethyl]sulfonyl-benzoic acid Openeye Name: 3,4-dimethyl-5-[2-(methylamino)-2-oxo-ethyl]sulfonyl-benzoic acid CAS Name: 3,4-dimethyl-5-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid IUPAC Name: 3,4-dimethyl-5-[2-(methylamino)-2-oxoethyl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-2-(methylamino)ethyl]sulfonyl-4,5-dimethyl-benzoic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO5S/c1-7-4-9(12(15)16)5-10(8(7)2)19(17,18)6-11(14)13-3/h4-5H,6H2,1-3H3,(H,13,14)(H,15,16)