[(1R)-1-cyanoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [(1R)-1-cyanoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [(1R)-1-cyanoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid [(1R)-1-cyanoethyl] ester IUPAC Name: [(1R)-1-cyanoethyl] 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid [(1R)-1-cyanoethyl] ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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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

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-10-4-5-11(2)13(8-10)21(18,19)16-7-6-14(17)20-12(3)9-15/h4-5,8,12,16H,6-7H2,1-3H3/t12-/m1/s1