methyl 2-[(3-cyanophenyl)sulfonylamino]-3-methyl-butanoate

Systemtic Name: methyl 2-[(3-cyanophenyl)sulfonylamino]-3-methyl-butanoate Openeye Name: methyl 2-[(3-cyanophenyl)sulfonylamino]-3-methyl-butanoate CAS Name: 2-[(3-cyanophenyl)sulfonylamino]-3-methylbutanoic acid methyl ester IUPAC Name: methyl 2-[(3-cyanophenyl)sulfonylamino]-3-methylbutanoate Traditional Name: 2-[(3-cyanophenyl)sulfonylamino]-3-methyl-butyric acid methyl ester Formula: C13H16N2O4S MolecularWeight: 296.34214

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)C#N

Isomeric SMILES

CC(C)C(C(=O)OC)NS(=O)(=O)C1=CC=CC(=C1)C#N

InChI

InChI=1S/C13H16N2O4S/c1-9(2)12(13(16)19-3)15-20(17,18)11-6-4-5-10(7-11)8-14/h4-7,9,12,15H,1-3H3