2-(4-acetamidophenyl)sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide

Systemtic Name: 2-(4-acetamidophenyl)sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]ethanamide Openeye Name: 2-(4-acetamidophenyl)sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide CAS Name: 2-[(4-acetamidophenyl)thio]-N-[2-(1-pyrrolidinyl)-5-(trifluoromethyl)phenyl]acetamide IUPAC Name: 2-(4-acetamidophenyl)sulfanyl-N-[2-pyrrolidin-1-yl-5-(trifluoromethyl)phenyl]acetamide Traditional Name: 2-[(4-acetamidophenyl)thio]-N-[2-pyrrolidino-5-(trifluoromethyl)phenyl]acetamide Formula: C21H22F3N3O2S MolecularWeight: 437.47849

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

Isomeric SMILES

CC(=O)NC1=CC=C(C=C1)SCC(=O)NC2=C(C=CC(=C2)C(F)(F)F)N3CCCC3

InChI

InChI=1S/C21H22F3N3O2S/c1-14(28)25-16-5-7-17(8-6-16)30-13-20(29)26-18-12-15(21(22,23)24)4-9-19(18)27-10-2-3-11-27/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,28)(H,26,29)