[(1R)-1-cyanoethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(mesitylsulfonylamino)propionic acid [(1R)-1-cyanoethyl] ester Formula: C15H20N2O4S MolecularWeight: 324.3953

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H20N2O4S/c1-10-7-11(2)15(12(3)8-10)22(19,20)17-6-5-14(18)21-13(4)9-16/h7-8,13,17H,5-6H2,1-4H3/t13-/m1/s1