2-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)-3-fluoranyl-piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol

Systemtic Name: 2-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)-3-fluoranyl-piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: 2-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)-3-fluoro-1-piperidyl]-1-(6-methoxy-4-quinolyl)ethanol CAS Name: 2-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)-3-fluoro-1-piperidinyl]-1-(6-methoxy-4-quinolinyl)ethanol IUPAC Name: 2-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)-3-fluoropiperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Traditional Name: 2-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)-3-fluoro-piperidino]-1-(6-methoxy-4-quinolyl)ethanol Formula: C24H26FN5O2S MolecularWeight: 467.558943

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(C(C3)F)NCC4=CC5=C(C=C4)SN=N5)O

Isomeric SMILES

COC1=CC2=C(C=CN=C2C=C1)C(CN3CCC(C(C3)F)NCC4=CC5=C(C=C4)SN=N5)O

InChI

InChI=1S/C24H26FN5O2S/c1-32-16-3-4-20-18(11-16)17(6-8-26-20)23(31)14-30-9-7-21(19(25)13-30)27-12-15-2-5-24-22(10-15)28-29-33-24/h2-6,8,10-11,19,21,23,27,31H,7,9,12-14H2,1H3