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

Systemtic Name: (2S,3R)-3-cyclohexyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-cyclohexyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-3-cyclohexyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-3-cyclohexyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-cyclohexyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C27H35NO3S MolecularWeight: 453.6367

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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

Isomeric SMILES

C1CCC(CC1)[C@@H]2[C@@H](OC3=C(S2)C=C(C=C3)O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C27H35NO3S/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/t26-,27+/m0/s1