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

Systemtic Name: 2-[(2-cyanophenyl)methylsulfonylamino]-3-oxidanyl-butanoic acid Openeye Name: 2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxy-butanoic acid CAS Name: 2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxybutanoic acid IUPAC Name: 2-[(2-cyanophenyl)methylsulfonylamino]-3-hydroxybutanoic acid Traditional Name: 2-[(2-cyanobenzyl)sulfonylamino]-3-hydroxy-butyric acid Formula: C12H14N2O5S MolecularWeight: 298.31496

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5S/c1-8(15)11(12(16)17)14-20(18,19)7-10-5-3-2-4-9(10)6-13/h2-5,8,11,14-15H,7H2,1H3,(H,16,17)