4-[6-(4-ethoxycarbonylpiperidin-1-yl)-5-nitro-pyridin-2-yl]oxybenzenesulfonic acid

Systemtic Name: 4-[6-(4-ethoxycarbonylpiperidin-1-yl)-5-nitro-pyridin-2-yl]oxybenzenesulfonic acid Openeye Name: 4-[[6-(4-ethoxycarbonyl-1-piperidyl)-5-nitro-2-pyridyl]oxy]benzenesulfonic acid CAS Name: 4-[[6-(4-ethoxycarbonyl-1-piperidinyl)-5-nitro-2-pyridinyl]oxy]benzenesulfonic acid IUPAC Name: 4-[6-(4-ethoxycarbonylpiperidin-1-yl)-5-nitropyridin-2-yl]oxybenzenesulfonic acid Traditional Name: 4-[[6-(4-carbethoxypiperidino)-5-nitro-2-pyridyl]oxy]besylic acid Formula: C19H21N3O8S MolecularWeight: 451.45034

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1CCN(CC1)C2=C(C=CC(=N2)OC3=CC=C(C=C3)S(=O)(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H21N3O8S/c1-2-29-19(23)13-9-11-21(12-10-13)18-16(22(24)25)7-8-17(20-18)30-14-3-5-15(6-4-14)31(26,27)28/h3-8,13H,2,9-12H2,1H3,(H,26,27,28)