4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoate

Systemtic Name: 4-[(2S)-1-(methylamino)-1-oxidanylidene-propan-2-yl]sulfonylbenzoate Openeye Name: 4-[(1S)-1-methyl-2-(methylamino)-2-oxo-ethyl]sulfonylbenzoate CAS Name: 4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoate IUPAC Name: 4-[(2S)-1-(methylamino)-1-oxopropan-2-yl]sulfonylbenzoate Traditional Name: 4-[(1S)-2-keto-1-methyl-2-(methylamino)ethyl]sulfonylbenzoate Formula: C11H12NO5S- MolecularWeight: 270.28168

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC)S(=O)(=O)C1=CC=C(C=C1)C(=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC)S(=O)(=O)C1=CC=C(C=C1)C(=O)[O-]

InChI

InChI=1S/C11H13NO5S/c1-7(10(13)12-2)18(16,17)9-5-3-8(4-6-9)11(14)15/h3-7H,1-2H3,(H,12,13)(H,14,15)/p-1/t7-/m0/s1