2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-7-(trifluoromethyl)quinolin-4-amine

Systemtic Name: 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-7-(trifluoromethyl)quinolin-4-amine Openeye Name: 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-7-(trifluoromethyl)quinolin-4-amine CAS Name: 2-methyl-N-[4-(1-pyrrolidinylsulfonyl)phenyl]-7-(trifluoromethyl)-4-quinolinamine IUPAC Name: 2-methyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)-7-(trifluoromethyl)quinolin-4-amine Traditional Name: [2-methyl-7-(trifluoromethyl)-4-quinolyl]-(4-pyrrolidinosulfonylphenyl)amine Formula: C21H20F3N3O2S MolecularWeight: 435.46261

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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)N4CCCC4

Isomeric SMILES

CC1=NC2=C(C=CC(=C2)C(F)(F)F)C(=C1)NC3=CC=C(C=C3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C21H20F3N3O2S/c1-14-12-19(18-9-4-15(21(22,23)24)13-20(18)25-14)26-16-5-7-17(8-6-16)30(28,29)27-10-2-3-11-27/h4-9,12-13H,2-3,10-11H2,1H3,(H,25,26)