(1S,2S)-1-(4-nitrophenyl)-3-[4-(phenylmethyl)piperidin-1-yl]-2-phenylsulfanyl-propan-1-ol

Systemtic Name: (1S,2S)-1-(4-nitrophenyl)-3-[4-(phenylmethyl)piperidin-1-yl]-2-phenylsulfanyl-propan-1-ol Openeye Name: (1S,2S)-3-(4-benzyl-1-piperidyl)-1-(4-nitrophenyl)-2-phenylsulfanyl-propan-1-ol CAS Name: (1S,2S)-1-(4-nitrophenyl)-3-[4-(phenylmethyl)-1-piperidinyl]-2-(phenylthio)-1-propanol IUPAC Name: (1S,2S)-3-(4-benzylpiperidin-1-yl)-1-(4-nitrophenyl)-2-phenylsulfanylpropan-1-ol Traditional Name: (1S,2S)-3-(4-benzylpiperidino)-1-(4-nitrophenyl)-2-(phenylthio)propan-1-ol Formula: C27H30N2O3S MolecularWeight: 462.6037

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)CC(C(C3=CC=C(C=C3)[N+](=O)[O-])O)SC4=CC=CC=C4

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)C[C@@H]([C@H](C3=CC=C(C=C3)[N+](=O)[O-])O)SC4=CC=CC=C4

InChI

InChI=1S/C27H30N2O3S/c30-27(23-11-13-24(14-12-23)29(31)32)26(33-25-9-5-2-6-10-25)20-28-17-15-22(16-18-28)19-21-7-3-1-4-8-21/h1-14,22,26-27,30H,15-20H2/t26-,27-/m0/s1