cyanomethyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate

Systemtic Name: cyanomethyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Openeye Name: cyanomethyl 3-methyl-2-(p-tolylsulfonylamino)butanoate CAS Name: 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoic acid cyanomethyl ester IUPAC Name: cyanomethyl 3-methyl-2-[(4-methylphenyl)sulfonylamino]butanoate Traditional Name: 3-methyl-2-(tosylamino)butyric acid cyanomethyl ester Formula: C14H18N2O4S MolecularWeight: 310.36872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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