2-[methyl-(3-methylsulfonylphenyl)carbonyl-amino]ethanoic acid

Systemtic Name: 2-[methyl-(3-methylsulfonylphenyl)carbonyl-amino]ethanoic acid Openeye Name: 2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid CAS Name: 2-[methyl-[(3-methylsulfonylphenyl)-oxomethyl]amino]acetic acid IUPAC Name: 2-[methyl-(3-methylsulfonylbenzoyl)amino]acetic acid Traditional Name: 2-[(3-mesylbenzoyl)-methyl-amino]acetic acid Formula: C11H13NO5S MolecularWeight: 271.28962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13NO5S/c1-12(7-10(13)14)11(15)8-4-3-5-9(6-8)18(2,16)17/h3-6H,7H2,1-2H3,(H,13,14)