(3S,4R)-3-phenyl-4-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]-3,4-dihydro-2H-chromen-7-ol

Systemtic Name: (3S,4R)-3-phenyl-4-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]-3,4-dihydro-2H-chromen-7-ol Openeye Name: (3S,4R)-3-phenyl-4-[4-[2-(1-piperidyl)ethylsulfanyl]phenyl]chroman-7-ol CAS Name: (3S,4R)-3-phenyl-4-[4-[2-(1-piperidinyl)ethylthio]phenyl]-3,4-dihydro-2H-1-benzopyran-7-ol IUPAC Name: (3S,4R)-3-phenyl-4-[4-(2-piperidin-1-ylethylsulfanyl)phenyl]-3,4-dihydro-2H-chromen-7-ol Traditional Name: (3S,4R)-3-phenyl-4-[4-(2-piperidinoethylthio)phenyl]chroman-7-ol Formula: C28H31NO2S MolecularWeight: 445.61624

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CCSC2=CC=C(C=C2)C3C(COC4=C3C=CC(=C4)O)C5=CC=CC=C5

Isomeric SMILES

C1CCN(CC1)CCSC2=CC=C(C=C2)[C@H]3[C@H](COC4=C3C=CC(=C4)O)C5=CC=CC=C5

InChI

InChI=1S/C28H31NO2S/c30-23-11-14-25-27(19-23)31-20-26(21-7-3-1-4-8-21)28(25)22-9-12-24(13-10-22)32-18-17-29-15-5-2-6-16-29/h1,3-4,7-14,19,26,28,30H,2,5-6,15-18,20H2/t26-,28-/m1/s1