1-(2,6-dimethylquinolin-4-yl)butane-1-sulfonic acid

Systemtic Name: 1-(2,6-dimethylquinolin-4-yl)butane-1-sulfonic acid Openeye Name: 1-(2,6-dimethyl-4-quinolyl)butane-1-sulfonic acid CAS Name: 1-(2,6-dimethyl-4-quinolinyl)-1-butanesulfonic acid IUPAC Name: 1-(2,6-dimethylquinolin-4-yl)butane-1-sulfonic acid Traditional Name: 1-(2,6-dimethyl-4-quinolyl)butane-1-sulfonic acid Formula: C15H19NO3S MolecularWeight: 293.38126

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC(=NC2=C1C=C(C=C2)C)C)S(=O)(=O)O

Isomeric SMILES

CCCC(C1=CC(=NC2=C1C=C(C=C2)C)C)S(=O)(=O)O

InChI

InChI=1S/C15H19NO3S/c1-4-5-15(20(17,18)19)13-9-11(3)16-14-7-6-10(2)8-12(13)14/h6-9,15H,4-5H2,1-3H3,(H,17,18,19)