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

Systemtic Name: N-[4-[4-(4-methylsulfanylphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine Openeye Name: N-[4-[4-(4-methylsulfanylphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine CAS Name: N-[4-[[4-[4-(methylthio)phenyl]-1-piperazinyl]sulfonyl]phenyl]-7-(trifluoromethyl)-4-quinolinamine IUPAC Name: N-[4-[4-(4-methylsulfanylphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine Traditional Name: [4-[4-[4-(methylthio)phenyl]piperazino]sulfonylphenyl]-[7-(trifluoromethyl)-4-quinolyl]amine Formula: C27H25F3N4O2S2 MolecularWeight: 558.63821

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=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

CSC1=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/C27H25F3N4O2S2/c1-37-22-7-5-21(6-8-22)33-14-16-34(17-15-33)38(35,36)23-9-3-20(4-10-23)32-25-12-13-31-26-18-19(27(28,29)30)2-11-24(25)26/h2-13,18H,14-17H2,1H3,(H,31,32)