ethyl 2-azanyl-3-(4-methylsulfonylphenyl)-3-oxidanyl-propanoate

Systemtic Name: ethyl 2-azanyl-3-(4-methylsulfonylphenyl)-3-oxidanyl-propanoate Openeye Name: ethyl 2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoate CAS Name: 2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoic acid ethyl ester IUPAC Name: ethyl 2-amino-3-hydroxy-3-(4-methylsulfonylphenyl)propanoate Traditional Name: 2-amino-3-hydroxy-3-(4-mesylphenyl)propionic acid ethyl ester Formula: C12H17NO5S MolecularWeight: 287.33208

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(C(C1=CC=C(C=C1)S(=O)(=O)C)O)N

Isomeric SMILES

CCOC(=O)C(C(C1=CC=C(C=C1)S(=O)(=O)C)O)N

InChI

InChI=1S/C12H17NO5S/c1-3-18-12(15)10(13)11(14)8-4-6-9(7-5-8)19(2,16)17/h4-7,10-11,14H,3,13H2,1-2H3