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

Systemtic Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(4-piperazin-1-ylphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(4-piperazin-1-ylphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[4-(1-piperazinyl)phenyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(4-piperazin-1-ylphenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(4-piperazinophenyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C24H24N2O3S MolecularWeight: 420.52396

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C3C(SC4=C(O3)C=CC(=C4)O)C5=CC=C(C=C5)O

Isomeric SMILES

C1CN(CCN1)C2=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/C24H24N2O3S/c27-19-7-3-17(4-8-19)24-23(29-21-10-9-20(28)15-22(21)30-24)16-1-5-18(6-2-16)26-13-11-25-12-14-26/h1-10,15,23-25,27-28H,11-14H2/t23-,24+/m0/s1