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

Systemtic Name: (2S,3R)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propan-2-yl-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-isopropyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-3-propan-2-yl-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-2-[4-(2-piperidin-1-ylethoxy)phenyl]-3-propan-2-yl-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-isopropyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C24H31NO3S MolecularWeight: 413.57284

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1C(OC2=C(S1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4

Isomeric SMILES

CC(C)[C@@H]1[C@@H](OC2=C(S1)C=C(C=C2)O)C3=CC=C(C=C3)OCCN4CCCCC4

InChI

InChI=1S/C24H31NO3S/c1-17(2)24-23(28-21-11-8-19(26)16-22(21)29-24)18-6-9-20(10-7-18)27-15-14-25-12-4-3-5-13-25/h6-11,16-17,23-24,26H,3-5,12-15H2,1-2H3/t23-,24+/m0/s1