cyanomethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate

Systemtic Name: cyanomethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Openeye Name: cyanomethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[(3,4-dimethoxyphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethoxyphenyl)sulfonylamino]propionic acid cyanomethyl ester Formula: C13H16N2O6S MolecularWeight: 328.34094

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC#N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NCCC(=O)OCC#N)OC

InChI

InChI=1S/C13H16N2O6S/c1-19-11-4-3-10(9-12(11)20-2)22(17,18)15-7-5-13(16)21-8-6-14/h3-4,9,15H,5,7-8H2,1-2H3