methyl 2-[(4-methylsulfonylphenyl)carbonylamino]-3-oxidanyl-propanoate

Systemtic Name: methyl 2-[(4-methylsulfonylphenyl)carbonylamino]-3-oxidanyl-propanoate Openeye Name: methyl 3-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]propanoate CAS Name: 3-hydroxy-2-[[(4-methylsulfonylphenyl)-oxomethyl]amino]propanoic acid methyl ester IUPAC Name: methyl 3-hydroxy-2-[(4-methylsulfonylbenzoyl)amino]propanoate Traditional Name: 3-hydroxy-2-[(4-mesylbenzoyl)amino]propionic acid methyl ester Formula: C12H15NO6S MolecularWeight: 301.3156

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15NO6S/c1-19-12(16)10(7-14)13-11(15)8-3-5-9(6-4-8)20(2,17)18/h3-6,10,14H,7H2,1-2H3,(H,13,15)