N-tert-butyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide

Systemtic Name: N-tert-butyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide Openeye Name: N-tert-butyl-4-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]benzenesulfonamide CAS Name: N-tert-butyl-4-[[2-methyl-7-(trifluoromethyl)-4-quinolinyl]amino]benzenesulfonamide IUPAC Name: N-tert-butyl-4-[[2-methyl-7-(trifluoromethyl)quinolin-4-yl]amino]benzenesulfonamide Traditional Name: N-tert-butyl-4-[[2-methyl-7-(trifluoromethyl)-4-quinolyl]amino]benzenesulfonamide Formula: C21H22F3N3O2S MolecularWeight: 437.47849

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)NC(C)(C)C

InChI

InChI=1S/C21H22F3N3O2S/c1-13-11-18(17-10-5-14(21(22,23)24)12-19(17)25-13)26-15-6-8-16(9-7-15)30(28,29)27-20(2,3)4/h5-12,27H,1-4H3,(H,25,26)