2-(trifluoromethylsulfonylamino)propyl 3-(3H-inden-1-yl)-2-methyl-benzoate

Systemtic Name: 2-(trifluoromethylsulfonylamino)propyl 3-(3H-inden-1-yl)-2-methyl-benzoate Openeye Name: 2-(trifluoromethylsulfonylamino)propyl 3-(3H-inden-1-yl)-2-methyl-benzoate CAS Name: 3-(3H-inden-1-yl)-2-methylbenzoic acid 2-(trifluoromethylsulfonylamino)propyl ester IUPAC Name: 2-(trifluoromethylsulfonylamino)propyl 3-(3H-inden-1-yl)-2-methylbenzoate Traditional Name: 3-(3H-inden-1-yl)-2-methyl-benzoic acid 2-(triflylamino)propyl ester Formula: C21H20F3NO4S MolecularWeight: 439.44801

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1C(=O)OCC(C)NS(=O)(=O)C(F)(F)F)C2=CCC3=CC=CC=C32

Isomeric SMILES

CC1=C(C=CC=C1C(=O)OCC(C)NS(=O)(=O)C(F)(F)F)C2=CCC3=CC=CC=C32

InChI

InChI=1S/C21H20F3NO4S/c1-13(25-30(27,28)21(22,23)24)12-29-20(26)17-9-5-8-16(14(17)2)19-11-10-15-6-3-4-7-18(15)19/h3-9,11,13,25H,10,12H2,1-2H3