2-[(5-chloranyl-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoic acid

Systemtic Name: 2-[(5-chloranyl-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoic acid Openeye Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-3-methyl-butanoic acid CAS Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylbutanoic acid IUPAC Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylbutanoic acid Traditional Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-3-methyl-butyric acid Formula: C12H13ClN2O4S MolecularWeight: 316.76062

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13ClN2O4S/c1-7(2)11(12(16)17)15-20(18,19)10-5-9(13)4-3-8(10)6-14/h3-5,7,11,15H,1-2H3,(H,16,17)