2-methylsulfanyl-N-[phenyl-(3-pyrrolidin-1-yloxetan-3-yl)methyl]-4-(trifluoromethyl)benzamide

Systemtic Name: 2-methylsulfanyl-N-[phenyl-(3-pyrrolidin-1-yloxetan-3-yl)methyl]-4-(trifluoromethyl)benzamide Openeye Name: 2-methylsulfanyl-N-[phenyl-(3-pyrrolidin-1-yloxetan-3-yl)methyl]-4-(trifluoromethyl)benzamide CAS Name: 2-(methylthio)-N-[phenyl-[3-(1-pyrrolidinyl)-3-oxetanyl]methyl]-4-(trifluoromethyl)benzamide IUPAC Name: 2-methylsulfanyl-N-[phenyl-(3-pyrrolidin-1-yloxetan-3-yl)methyl]-4-(trifluoromethyl)benzamide Traditional Name: 2-(methylthio)-N-[phenyl-(3-pyrrolidinooxetan-3-yl)methyl]-4-(trifluoromethyl)benzamide Formula: C23H25F3N2O2S MolecularWeight: 450.51701

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=C(C=CC(=C1)C(F)(F)F)C(=O)NC(C2=CC=CC=C2)C3(COC3)N4CCCC4

Isomeric SMILES

CSC1=C(C=CC(=C1)C(F)(F)F)C(=O)NC(C2=CC=CC=C2)C3(COC3)N4CCCC4

InChI

InChI=1S/C23H25F3N2O2S/c1-31-19-13-17(23(24,25)26)9-10-18(19)21(29)27-20(16-7-3-2-4-8-16)22(14-30-15-22)28-11-5-6-12-28/h2-4,7-10,13,20H,5-6,11-12,14-15H2,1H3,(H,27,29)