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

Systemtic Name: 8-chloranyl-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: 8-chloro-3-phenyl-2-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: 8-chloro-3-phenyl-2-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: 8-chloro-3-phenyl-2-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: 8-chloro-3-phenyl-2-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C27H28ClNO3S MolecularWeight: 482.03412

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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)Cl)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(SC4=C(O3)C(=CC(=C4)O)Cl)C5=CC=CC=C5

InChI

InChI=1S/C27H28ClNO3S/c28-23-17-21(30)18-24-26(23)32-25(27(33-24)20-7-3-1-4-8-20)19-9-11-22(12-10-19)31-16-15-29-13-5-2-6-14-29/h1,3-4,7-12,17-18,25,27,30H,2,5-6,13-16H2