1-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-3-(2-bromanyl-4-fluoranyl-phenoxy)propan-2-ol

Systemtic Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-3-(2-bromanyl-4-fluoranyl-phenoxy)propan-2-ol Openeye Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)-1-piperidyl]-3-(2-bromo-4-fluoro-phenoxy)propan-2-ol CAS Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)-1-piperidinyl]-3-(2-bromo-4-fluorophenoxy)-2-propanol IUPAC Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)piperidin-1-yl]-3-(2-bromo-4-fluorophenoxy)propan-2-ol Traditional Name: 1-[4-(1,3-benzothiazol-2-ylmethylamino)piperidino]-3-(2-bromo-4-fluoro-phenoxy)propan-2-ol Formula: C22H25BrFN3O2S MolecularWeight: 494.420203

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NCC2=NC3=CC=CC=C3S2)CC(COC4=C(C=C(C=C4)F)Br)O

Isomeric SMILES

C1CN(CCC1NCC2=NC3=CC=CC=C3S2)CC(COC4=C(C=C(C=C4)F)Br)O

InChI

InChI=1S/C22H25BrFN3O2S/c23-18-11-15(24)5-6-20(18)29-14-17(28)13-27-9-7-16(8-10-27)25-12-22-26-19-3-1-2-4-21(19)30-22/h1-6,11,16-17,25,28H,7-10,12-14H2