2-[(2-cyanophenyl)methylsulfonylamino]-3-methyl-butanoic acid

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1C#N

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)CC1=CC=CC=C1C#N

InChI

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