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

Systemtic Name: (2S,3R)-3-cycloheptyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-cycloheptyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-3-cycloheptyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-3-cycloheptyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-cycloheptyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C28H37NO3S MolecularWeight: 467.66328

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCC(CC1)C2C(OC3=C(S2)C=C(C=C3)O)C4=CC=C(C=C4)OCCN5CCCCC5

Isomeric SMILES

C1CCCC(CC1)[C@@H]2[C@@H](OC3=C(S2)C=C(C=C3)O)C4=CC=C(C=C4)OCCN5CCCCC5

InChI

InChI=1S/C28H37NO3S/c30-23-12-15-25-26(20-23)33-28(22-8-4-1-2-5-9-22)27(32-25)21-10-13-24(14-11-21)31-19-18-29-16-6-3-7-17-29/h10-15,20,22,27-28,30H,1-9,16-19H2/t27-,28+/m0/s1