2-[2-[(3-methylsulfonylphenyl)carbonylamino]ethanoylamino]ethanoic acid

Systemtic Name: 2-[2-[(3-methylsulfonylphenyl)carbonylamino]ethanoylamino]ethanoic acid Openeye Name: 2-[[2-[(3-methylsulfonylbenzoyl)amino]acetyl]amino]acetic acid CAS Name: 2-[[2-[[(3-methylsulfonylphenyl)-oxomethyl]amino]-1-oxoethyl]amino]acetic acid IUPAC Name: 2-[[2-[(3-methylsulfonylbenzoyl)amino]acetyl]amino]acetic acid Traditional Name: 2-[[2-[(3-mesylbenzoyl)amino]acetyl]amino]acetic acid Formula: C12H14N2O6S MolecularWeight: 314.31436

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O6S/c1-21(19,20)9-4-2-3-8(5-9)12(18)14-6-10(15)13-7-11(16)17/h2-5H,6-7H2,1H3,(H,13,15)(H,14,18)(H,16,17)