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

Systemtic Name: 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride Openeye Name: 3-phenyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride CAS Name: 3-phenyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride IUPAC Name: 3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride Traditional Name: 3-phenyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol hydrochloride Formula: C27H30ClNO3S MolecularWeight: 484.05

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=C(C=C4)O)C5=CC=CC=C5.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=C(C=C4)O)C5=CC=CC=C5.Cl

InChI

InChI=1S/C27H29NO3S.ClH/c29-22-11-14-25-24(19-22)31-26(27(32-25)21-7-3-1-4-8-21)20-9-12-23(13-10-20)30-18-17-28-15-5-2-6-16-28;/h1,3-4,7-14,19,26-27,29H,2,5-6,15-18H2;1H