N-[4-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine

Systemtic Name: N-[4-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine Openeye Name: N-[4-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine CAS Name: N-[4-[[4-(4-ethoxyphenyl)-1-piperazinyl]sulfonyl]phenyl]-7-(trifluoromethyl)-4-quinolinamine IUPAC Name: N-[4-[4-(4-ethoxyphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine Traditional Name: [4-(4-p-phenetylpiperazino)sulfonylphenyl]-[7-(trifluoromethyl)-4-quinolyl]amine Formula: C28H27F3N4O3S MolecularWeight: 556.59919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

Isomeric SMILES

CCOC1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

InChI

InChI=1S/C28H27F3N4O3S/c1-2-38-23-8-6-22(7-9-23)34-15-17-35(18-16-34)39(36,37)24-10-4-21(5-11-24)33-26-13-14-32-27-19-20(28(29,30)31)3-12-25(26)27/h3-14,19H,2,15-18H2,1H3,(H,32,33)