2-[(3-methoxycarbonylphenyl)methylsulfonylamino]-3-oxidanyl-propanoic acid

Systemtic Name: 2-[(3-methoxycarbonylphenyl)methylsulfonylamino]-3-oxidanyl-propanoic acid Openeye Name: 3-hydroxy-2-[(3-methoxycarbonylphenyl)methylsulfonylamino]propanoic acid CAS Name: 3-hydroxy-2-[(3-methoxycarbonylphenyl)methylsulfonylamino]propanoic acid IUPAC Name: 3-hydroxy-2-[(3-methoxycarbonylphenyl)methylsulfonylamino]propanoic acid Traditional Name: 2-[(3-carbomethoxybenzyl)sulfonylamino]-3-hydroxy-propionic acid Formula: C12H15NO7S MolecularWeight: 317.315

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)NC(CO)C(=O)O

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CS(=O)(=O)NC(CO)C(=O)O

InChI

InChI=1S/C12H15NO7S/c1-20-12(17)9-4-2-3-8(5-9)7-21(18,19)13-10(6-14)11(15)16/h2-5,10,13-14H,6-7H2,1H3,(H,15,16)