(2S,3R)-3-(4-hydroxyphenyl)-2-(4-piperidin-4-ylphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol

Systemtic Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(4-piperidin-4-ylphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-(4-piperidyl)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-(4-piperidinyl)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(4-piperidin-4-ylphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-(4-piperidyl)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C25H25NO3S MolecularWeight: 419.5359

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Descriptors Computed from Structure

Canonical SMILES:

C1CNCCC1C2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CNCCC1C2=CC=C(C=C2)[C@H]3[C@H](SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O

InChI

InChI=1S/C25H25NO3S/c27-20-7-5-19(6-8-20)25-24(29-22-10-9-21(28)15-23(22)30-25)18-3-1-16(2-4-18)17-11-13-26-14-12-17/h1-10,15,17,24-28H,11-14H2/t24-,25+/m0/s1