N4-butyl-2-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]benzene-1,4-dicarboxamide

Systemtic Name: N4-butyl-2-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]benzene-1,4-dicarboxamide Openeye Name: N4-butyl-2-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]terephthalamide CAS Name: N4-butyl-2-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]benzene-1,4-dicarboxamide IUPAC Name: 4-N-butyl-2-methyl-3-[4-(trifluoromethylsulfonyl)phenyl]benzene-1,4-dicarboxamide Traditional Name: N'-butyl-2-methyl-3-(4-triflylphenyl)terephthalamide Formula: C20H21F3N2O4S MolecularWeight: 442.45195

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C1=C(C(=C(C=C1)C(=O)N)C)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

Isomeric SMILES

CCCCNC(=O)C1=C(C(=C(C=C1)C(=O)N)C)C2=CC=C(C=C2)S(=O)(=O)C(F)(F)F

InChI

InChI=1S/C20H21F3N2O4S/c1-3-4-11-25-19(27)16-10-9-15(18(24)26)12(2)17(16)13-5-7-14(8-6-13)30(28,29)20(21,22)23/h5-10H,3-4,11H2,1-2H3,(H2,24,26)(H,25,27)