(phenylmethyl) 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidine-1-carboxylate

Systemtic Name: (phenylmethyl) 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidine-1-carboxylate Openeye Name: benzyl 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidine-1-carboxylate CAS Name: 4-[[1-[(4-fluorophenyl)methyl]-2-benzimidazolyl]thio]-1-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 4-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]sulfanylpiperidine-1-carboxylate Traditional Name: 4-[[1-(4-fluorobenzyl)benzimidazol-2-yl]thio]piperidine-1-carboxylic acid benzyl ester Formula: C27H26FN3O2S MolecularWeight: 475.577643

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1SC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C(=O)OCC5=CC=CC=C5

Isomeric SMILES

C1CN(CCC1SC2=NC3=CC=CC=C3N2CC4=CC=C(C=C4)F)C(=O)OCC5=CC=CC=C5

InChI

InChI=1S/C27H26FN3O2S/c28-22-12-10-20(11-13-22)18-31-25-9-5-4-8-24(25)29-26(31)34-23-14-16-30(17-15-23)27(32)33-19-21-6-2-1-3-7-21/h1-13,23H,14-19H2