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

Systemtic Name: 2-[(5-chloranyl-2-cyano-phenyl)sulfonylamino]-3-methyl-pentanoic acid Openeye Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-3-methyl-pentanoic acid CAS Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylpentanoic acid IUPAC Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-3-methylpentanoic acid Traditional Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-3-methyl-valeric acid Formula: C13H15ClN2O4S MolecularWeight: 330.7872

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15ClN2O4S/c1-3-8(2)12(13(17)18)16-21(19,20)11-6-10(14)5-4-9(11)7-15/h4-6,8,12,16H,3H2,1-2H3,(H,17,18)