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

Systemtic Name: 2-[(5-chloranyl-2-cyano-phenyl)sulfonylamino]-3,3-dimethyl-butanoic acid Openeye Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-3,3-dimethyl-butanoic acid CAS Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3,3-dimethylbutanoic acid IUPAC Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3,3-dimethylbutanoic acid Traditional Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-3,3-dimethyl-butyric acid Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O4S/c1-13(2,3)11(12(17)18)16-21(19,20)10-6-9(14)5-4-8(10)7-15/h4-6,11,16H,1-3H3,(H,17,18)