(1-azanyl-1-oxidanylidene-propan-2-yl) 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: (1-azanyl-1-oxidanylidene-propan-2-yl) 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: (2-amino-1-methyl-2-oxo-ethyl) 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid (1-amino-1-oxopropan-2-yl) ester IUPAC Name: (1-amino-1-oxopropan-2-yl) 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid (2-amino-2-keto-1-methyl-ethyl) ester Formula: C13H17NO5S MolecularWeight: 299.34278

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OC(C)C(=O)N

InChI

InChI=1S/C13H17NO5S/c1-9-3-5-11(6-4-9)20(17,18)8-7-12(15)19-10(2)13(14)16/h3-6,10H,7-8H2,1-2H3,(H2,14,16)