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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1CC2=CC=CC=C2)C(CSC3=CC=CC=C3)C(C4=CC=C(C=C4)[N+](=O)[O-])O

Isomeric SMILES

C1CN(CCC1CC2=CC=CC=C2)[C@@H](CSC3=CC=CC=C3)[C@H](C4=CC=C(C=C4)[N+](=O)[O-])O

InChI

InChI=1S/C27H30N2O3S/c30-27(23-11-13-24(14-12-23)29(31)32)26(20-33-25-9-5-2-6-10-25)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