cyanomethyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: cyanomethyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: cyanomethyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(mesitylsulfonylamino)propionic acid cyanomethyl 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)OCC#N)C

Isomeric SMILES

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

InChI

InChI=1S/C14H18N2O4S/c1-10-8-11(2)14(12(3)9-10)21(18,19)16-6-4-13(17)20-7-5-15/h8-9,16H,4,6-7H2,1-3H3