(2S)-2-azaniumyl-2-(4-methylsulfonylphenyl)ethanoate

Systemtic Name: (2S)-2-azaniumyl-2-(4-methylsulfonylphenyl)ethanoate Openeye Name: (2S)-2-azaniumyl-2-(4-methylsulfonylphenyl)acetate CAS Name: (2S)-2-ammonio-2-(4-methylsulfonylphenyl)acetate IUPAC Name: (2S)-2-azaniumyl-2-(4-methylsulfonylphenyl)acetate Traditional Name: (2S)-2-ammonio-2-(4-mesylphenyl)acetate Formula: C9H11NO4S MolecularWeight: 229.25294

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)C(C(=O)[O-])[NH3+]

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)[C@@H](C(=O)[O-])[NH3+]

InChI

InChI=1S/C9H11NO4S/c1-15(13,14)7-4-2-6(3-5-7)8(10)9(11)12/h2-5,8H,10H2,1H3,(H,11,12)/t8-/m0/s1