4-[bis(fluoranyl)methylsulfanyl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide

Systemtic Name: 4-[bis(fluoranyl)methylsulfanyl]-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide Openeye Name: 4-(difluoromethylsulfanyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-yl-ethyl]benzamide CAS Name: 4-(difluoromethylthio)-N-[2-(3-methoxyphenyl)-2-(1-pyrrolidinyl)ethyl]benzamide IUPAC Name: 4-(difluoromethylsulfanyl)-N-[2-(3-methoxyphenyl)-2-pyrrolidin-1-ylethyl]benzamide Traditional Name: 4-(difluoromethylthio)-N-[2-(3-methoxyphenyl)-2-pyrrolidino-ethyl]benzamide Formula: C21H24F2N2O2S MolecularWeight: 406.489266

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=C(C=C2)SC(F)F)N3CCCC3

Isomeric SMILES

COC1=CC=CC(=C1)C(CNC(=O)C2=CC=C(C=C2)SC(F)F)N3CCCC3

InChI

InChI=1S/C21H24F2N2O2S/c1-27-17-6-4-5-16(13-17)19(25-11-2-3-12-25)14-24-20(26)15-7-9-18(10-8-15)28-21(22)23/h4-10,13,19,21H,2-3,11-12,14H2,1H3,(H,24,26)