3-methylsulfanyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]propan-1-one

Systemtic Name: 3-methylsulfanyl-1-[(3R,4R)-3-oxidanyl-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]propan-1-one Openeye Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)-1-piperidyl]-3-methylsulfanyl-propan-1-one CAS Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethyl-1-piperazinyl)-1-piperidinyl]-3-(methylthio)-1-propanone IUPAC Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazin-1-yl)piperidin-1-yl]-3-methylsulfanylpropan-1-one Traditional Name: 1-[(3R,4R)-3-hydroxy-4-(4-phenethylpiperazino)piperidino]-3-(methylthio)propan-1-one Formula: C21H33N3O2S MolecularWeight: 391.57062

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Descriptors Computed from Structure

Canonical SMILES:

CSCCC(=O)N1CCC(C(C1)O)N2CCN(CC2)CCC3=CC=CC=C3

Isomeric SMILES

CSCCC(=O)N1CC[C@H]([C@@H](C1)O)N2CCN(CC2)CCC3=CC=CC=C3

InChI

InChI=1S/C21H33N3O2S/c1-27-16-9-21(26)24-11-8-19(20(25)17-24)23-14-12-22(13-15-23)10-7-18-5-3-2-4-6-18/h2-6,19-20,25H,7-17H2,1H3/t19-,20-/m1/s1