(2S)-1-[2-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol

Systemtic Name: (2S)-1-[2-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]phenoxy]-3-piperidin-1-yl-propan-2-ol Openeye Name: (2S)-1-[2-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]phenoxy]-3-(1-piperidyl)propan-2-ol CAS Name: (2S)-1-[2-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]phenoxy]-3-(1-piperidinyl)-2-propanol IUPAC Name: (2S)-1-[2-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]phenoxy]-3-piperidin-1-ylpropan-2-ol Traditional Name: (2S)-1-[2-[(piazthiol-5-ylmethylamino)methyl]phenoxy]-3-piperidino-propan-2-ol Formula: C22H28N4O2S MolecularWeight: 412.54832

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC(COC2=CC=CC=C2CNCC3=CC4=NSN=C4C=C3)O

Isomeric SMILES

C1CCN(CC1)C[C@@H](COC2=CC=CC=C2CNCC3=CC4=NSN=C4C=C3)O

InChI

InChI=1S/C22H28N4O2S/c27-19(15-26-10-4-1-5-11-26)16-28-22-7-3-2-6-18(22)14-23-13-17-8-9-20-21(12-17)25-29-24-20/h2-3,6-9,12,19,23,27H,1,4-5,10-11,13-16H2/t19-/m0/s1