2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol

Systemtic Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol Openeye Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol CAS Name: 2-(4-hydroxyphenyl)-3-[4-[2-(1-piperidinyl)ethoxy]phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol IUPAC Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidin-1-ylethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol Traditional Name: 2-(4-hydroxyphenyl)-3-[4-(2-piperidinoethoxy)phenyl]-2,3-dihydro-1,4-benzoxathiin-7-ol Formula: C27H29NO4S MolecularWeight: 463.58846

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(OC4=C(S3)C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CCN(CC1)CCOC2=CC=C(C=C2)C3C(OC4=C(S3)C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C27H29NO4S/c29-21-8-4-19(5-9-21)26-27(33-25-13-10-22(30)18-24(25)32-26)20-6-11-23(12-7-20)31-17-16-28-14-2-1-3-15-28/h4-13,18,26-27,29-30H,1-3,14-17H2