2-[(5-chloranyl-2-cyano-phenyl)sulfonylamino]-2-cyclopropyl-propanoic acid

Systemtic Name: 2-[(5-chloranyl-2-cyano-phenyl)sulfonylamino]-2-cyclopropyl-propanoic acid Openeye Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-2-cyclopropyl-propanoic acid CAS Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-2-cyclopropylpropanoic acid IUPAC Name: 2-[(5-chloro-2-cyanophenyl)sulfonylamino]-2-cyclopropylpropanoic acid Traditional Name: 2-[(5-chloro-2-cyano-phenyl)sulfonylamino]-2-cyclopropyl-propionic acid Formula: C13H13ClN2O4S MolecularWeight: 328.77132

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)(C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

Isomeric SMILES

CC(C1CC1)(C(=O)O)NS(=O)(=O)C2=C(C=CC(=C2)Cl)C#N

InChI

InChI=1S/C13H13ClN2O4S/c1-13(12(17)18,9-3-4-9)16-21(19,20)11-6-10(14)5-2-8(11)7-15/h2,5-6,9,16H,3-4H2,1H3,(H,17,18)