5-fluoranyl-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride

Systemtic Name: 5-fluoranyl-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride Openeye Name: 5-fluoro-3-phenyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride CAS Name: 5-fluoro-3-phenyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride IUPAC Name: 5-fluoro-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride Traditional Name: 5-fluoro-3-phenyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride Formula: C27H29ClFNO3S MolecularWeight: 502.040463

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(C=C(C=C4O3)O)F)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(C=C(C=C4O3)O)F)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H28FNO3S.ClH/c28-23-17-21(30)18-24-27(23)33-26(20-7-3-1-4-8-20)25(32-24)19-9-11-22(12-10-19)31-16-15-29-13-5-2-6-14-29;/h1,3-4,7-12,17-18,25-26,30H,2,5-6,13-16H2;1H