cyanomethyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: cyanomethyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: cyanomethyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid cyanomethyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H16N2O4S/c1-10-3-4-11(2)12(9-10)20(17,18)15-7-5-13(16)19-8-6-14/h3-4,9,15H,5,7-8H2,1-2H3