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

Systemtic Name: 1-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Openeye Name: 1-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)-1-piperidyl]-1-(6-methoxy-4-quinolyl)ethanol CAS Name: 1-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)-1-piperidinyl]-1-(6-methoxy-4-quinolinyl)ethanol IUPAC Name: 1-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)piperidin-1-yl]-1-(6-methoxyquinolin-4-yl)ethanol Traditional Name: 1-[4-(1,2,3-benzothiadiazol-5-ylmethylamino)piperidino]-1-(6-methoxy-4-quinolyl)ethanol Formula: C24H27N5O2S MolecularWeight: 449.56848

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=C2C=C(C=CC2=NC=C1)OC)(N3CCC(CC3)NCC4=CC5=C(C=C4)SN=N5)O

Isomeric SMILES

CC(C1=C2C=C(C=CC2=NC=C1)OC)(N3CCC(CC3)NCC4=CC5=C(C=C4)SN=N5)O

InChI

InChI=1S/C24H27N5O2S/c1-24(30,20-7-10-25-21-5-4-18(31-2)14-19(20)21)29-11-8-17(9-12-29)26-15-16-3-6-23-22(13-16)27-28-32-23/h3-7,10,13-14,17,26,30H,8-9,11-12,15H2,1-2H3