(phenylmethyl) (3S,4S)-3-(2-phenyl-1H-indol-3-yl)-4-(phenylmethylsulfanyl)piperidine-1-carboxylate

Systemtic Name: (phenylmethyl) (3S,4S)-3-(2-phenyl-1H-indol-3-yl)-4-(phenylmethylsulfanyl)piperidine-1-carboxylate Openeye Name: benzyl (3S,4S)-4-benzylsulfanyl-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate CAS Name: (3S,4S)-3-(2-phenyl-1H-indol-3-yl)-4-(phenylmethylthio)-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl (3S,4S)-4-benzylsulfanyl-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylate Traditional Name: (3S,4S)-4-(benzylthio)-3-(2-phenyl-1H-indol-3-yl)piperidine-1-carboxylic acid benzyl ester Formula: C34H32N2O2S MolecularWeight: 532.69508

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CC(C1SCC2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

Isomeric SMILES

C1CN(C[C@@H]([C@H]1SCC2=CC=CC=C2)C3=C(NC4=CC=CC=C43)C5=CC=CC=C5)C(=O)OCC6=CC=CC=C6

InChI

InChI=1S/C34H32N2O2S/c37-34(38-23-25-12-4-1-5-13-25)36-21-20-31(39-24-26-14-6-2-7-15-26)29(22-36)32-28-18-10-11-19-30(28)35-33(32)27-16-8-3-9-17-27/h1-19,29,31,35H,20-24H2/t29-,31-/m0/s1