2-[1-(diethylcarbamoyl)-2H-pyridin-4-yl]ethanesulfonic acid

Systemtic Name: 2-[1-(diethylcarbamoyl)-2H-pyridin-4-yl]ethanesulfonic acid Openeye Name: 2-[1-(diethylcarbamoyl)-2H-pyridin-4-yl]ethanesulfonic acid CAS Name: 2-[1-[diethylamino(oxo)methyl]-2H-pyridin-4-yl]ethanesulfonic acid IUPAC Name: 2-[1-(diethylcarbamoyl)-2H-pyridin-4-yl]ethanesulfonic acid Traditional Name: 2-[1-(diethylcarbamoyl)-2H-pyridin-4-yl]ethanesulfonic acid Formula: C12H20N2O4S MolecularWeight: 288.3632

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)N1CC=C(C=C1)CCS(=O)(=O)O

Isomeric SMILES

CCN(CC)C(=O)N1CC=C(C=C1)CCS(=O)(=O)O

InChI

InChI=1S/C12H20N2O4S/c1-3-13(4-2)12(15)14-8-5-11(6-9-14)7-10-19(16,17)18/h5-6,8H,3-4,7,9-10H2,1-2H3,(H,16,17,18)