3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid

Systemtic Name: 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid Openeye Name: 3-methyl-2-[2-(4-pyridyl)ethylsulfonylamino]butanoic acid CAS Name: 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid IUPAC Name: 3-methyl-2-(2-pyridin-4-ylethylsulfonylamino)butanoic acid Traditional Name: 3-methyl-2-[2-(4-pyridyl)ethylsulfonylamino]butyric acid Formula: C12H18N2O4S MolecularWeight: 286.34732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)O)NS(=O)(=O)CCC1=CC=NC=C1

Isomeric SMILES

CC(C)C(C(=O)O)NS(=O)(=O)CCC1=CC=NC=C1

InChI

InChI=1S/C12H18N2O4S/c1-9(2)11(12(15)16)14-19(17,18)8-5-10-3-6-13-7-4-10/h3-4,6-7,9,11,14H,5,8H2,1-2H3,(H,15,16)