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

Systemtic Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Openeye Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[3-(1-piperidyl)propyl]-2,3-dihydro-1,4-benzoxathiin-6-ol CAS Name: (2S,3R)-3-(4-hydroxyphenyl)-2-[3-(1-piperidinyl)propyl]-2,3-dihydro-1,4-benzoxathiin-6-ol IUPAC Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(3-piperidin-1-ylpropyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Traditional Name: (2S,3R)-3-(4-hydroxyphenyl)-2-(3-piperidinopropyl)-2,3-dihydro-1,4-benzoxathiin-6-ol Formula: C22H27NO3S MolecularWeight: 385.51968

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCCC2C(SC3=C(O2)C=CC(=C3)O)C4=CC=C(C=C4)O

Isomeric SMILES

C1CCN(CC1)CCC[C@H]2[C@H](SC3=C(O2)C=CC(=C3)O)C4=CC=C(C=C4)O

InChI

InChI=1S/C22H27NO3S/c24-17-8-6-16(7-9-17)22-20(5-4-14-23-12-2-1-3-13-23)26-19-11-10-18(25)15-21(19)27-22/h6-11,15,20,22,24-25H,1-5,12-14H2/t20-,22+/m0/s1