3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid

Systemtic Name: 3-[1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoic acid Openeye Name: 3-[1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonylbenzoic acid CAS Name: 3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid IUPAC Name: 3-[1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoic acid Traditional Name: 3-[2-keto-1-methyl-2-(methylamino)ethyl]sulfonylbenzoic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-7(10(13)12-2)18(16,17)9-5-3-4-8(6-9)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)