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1-(azepan-1-yl)-3-[3-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]phenoxy]propan-2-ol
1-(azepan-1-yl)-3-[3-[(2,1,3-benzothiadiazol-5-ylmethylamino)methyl]phenoxy]propan-2-ol
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Descriptors Computed from Structure
Canonical SMILES:
C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCC3=CC4=NSN=C4C=C3)O
Isomeric SMILES
C1CCCN(CC1)CC(COC2=CC=CC(=C2)CNCC3=CC4=NSN=C4C=C3)O
InChI
InChI=1S/C23H30N4O2S/c28-20(16-27-10-3-1-2-4-11-27)17-29-21-7-5-6-18(12-21)14-24-15-19-8-9-22-23(13-19)26-30-25-22/h5-9,12-13,20,24,28H,1-4,10-11,14-17H2
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