2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]ethanoic acid

Systemtic Name: 2-[[4-(methylsulfonylmethyl)phenyl]carbonylamino]ethanoic acid Openeye Name: 2-[[4-(methylsulfonylmethyl)benzoyl]amino]acetic acid CAS Name: 2-[[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[[4-(methylsulfonylmethyl)benzoyl]amino]acetic acid Traditional Name: 2-[[4-(mesylmethyl)benzoyl]amino]acetic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC(=O)O

Isomeric SMILES

CS(=O)(=O)CC1=CC=C(C=C1)C(=O)NCC(=O)O

InChI

InChI=1S/C11H13NO5S/c1-18(16,17)7-8-2-4-9(5-3-8)11(15)12-6-10(13)14/h2-5H,6-7H2,1H3,(H,12,15)(H,13,14)