[(1R)-1-cyanoethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [(1R)-1-cyanoethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [(1R)-1-cyanoethyl] ester Formula: C13H15NO4S MolecularWeight: 281.3275

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)O[C@H](C)C#N

InChI

InChI=1S/C13H15NO4S/c1-10-3-5-12(6-4-10)19(16,17)8-7-13(15)18-11(2)9-14/h3-6,11H,7-8H2,1-2H3/t11-/m1/s1