1-[2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate

Systemtic Name: 1-[2-[1-(phenylmethyl)-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylethanoyl]piperidine-4-carboxylate Openeye Name: 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate CAS Name: 1-[1-oxo-2-[[1-(phenylmethyl)-5-(trifluoromethyl)-2-benzimidazolyl]thio]ethyl]-4-piperidinecarboxylate IUPAC Name: 1-[2-[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate Traditional Name: 1-[2-[[1-benzyl-5-(trifluoromethyl)benzimidazol-2-yl]thio]acetyl]isonipecotate Formula: C23H21F3N3O3S- MolecularWeight: 476.49135

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)[O-])C(=O)CSC2=NC3=C(N2CC4=CC=CC=C4)C=CC(=C3)C(F)(F)F

InChI

InChI=1S/C23H22F3N3O3S/c24-23(25,26)17-6-7-19-18(12-17)27-22(29(19)13-15-4-2-1-3-5-15)33-14-20(30)28-10-8-16(9-11-28)21(31)32/h1-7,12,16H,8-11,13-14H2,(H,31,32)/p-1