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

Systemtic Name: 3-cyclohexyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Openeye Name: 3-cyclohexyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride CAS Name: 3-cyclohexyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride IUPAC Name: 3-cyclohexyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Traditional Name: 3-cyclohexyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol hydrochloride Formula: C27H36ClNO3S MolecularWeight: 490.09764

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C2C(OC3=C(S2)C=C(C=C3)O)C4=CC=C(C=C4)OCCN5CCCCC5.Cl

Isomeric SMILES

C1CCC(CC1)C2C(OC3=C(S2)C=C(C=C3)O)C4=CC=C(C=C4)OCCN5CCCCC5.Cl

InChI

InChI=1S/C27H35NO3S.ClH/c29-22-11-14-24-25(19-22)32-27(21-7-3-1-4-8-21)26(31-24)20-9-12-23(13-10-20)30-18-17-28-15-5-2-6-16-28;/h9-14,19,21,26-27,29H,1-8,15-18H2;1H