3-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride

Systemtic Name: 3-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Openeye Name: 3-cyclopentyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride CAS Name: 3-cyclopentyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride IUPAC Name: 3-cyclopentyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Traditional Name: 3-cyclopentyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Formula: C26H34ClNO3S MolecularWeight: 476.07106

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5CCCC5.Cl

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5CCCC5.Cl

InChI

InChI=1S/C26H33NO3S.ClH/c28-21-10-13-23-24(18-21)31-26(20-6-2-3-7-20)25(30-23)19-8-11-22(12-9-19)29-17-16-27-14-4-1-5-15-27;/h8-13,18,20,25-26,28H,1-7,14-17H2;1H