2-[methyl-[4-(methylsulfonylmethyl)phenyl]carbonyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-[4-(methylsulfonylmethyl)phenyl]carbonyl-amino]ethanoic acid Openeye Name: 2-[methyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetic acid CAS Name: 2-[methyl-[[4-(methylsulfonylmethyl)phenyl]-oxomethyl]amino]acetic acid IUPAC Name: 2-[methyl-[4-(methylsulfonylmethyl)benzoyl]amino]acetic acid Traditional Name: 2-[[4-(mesylmethyl)benzoyl]-methyl-amino]acetic acid Formula: C12H15NO5S MolecularWeight: 285.3162

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)O)C(=O)C1=CC=C(C=C1)CS(=O)(=O)C

Isomeric SMILES

CN(CC(=O)O)C(=O)C1=CC=C(C=C1)CS(=O)(=O)C

InChI

InChI=1S/C12H15NO5S/c1-13(7-11(14)15)12(16)10-5-3-9(4-6-10)8-19(2,17)18/h3-6H,7-8H2,1-2H3,(H,14,15)