N-[4-[4-(4-bromanyl-2-ethylsulfanyl-phenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine

Systemtic Name: N-[4-[4-(4-bromanyl-2-ethylsulfanyl-phenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine Openeye Name: N-[4-[4-(4-bromo-2-ethylsulfanyl-phenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine CAS Name: N-[4-[[4-[4-bromo-2-(ethylthio)phenyl]-1-piperazinyl]sulfonyl]phenyl]-7-(trifluoromethyl)-4-quinolinamine IUPAC Name: N-[4-[4-(4-bromo-2-ethylsulfanylphenyl)piperazin-1-yl]sulfonylphenyl]-7-(trifluoromethyl)quinolin-4-amine Traditional Name: [4-[4-[4-bromo-2-(ethylthio)phenyl]piperazino]sulfonylphenyl]-[7-(trifluoromethyl)-4-quinolyl]amine Formula: C28H26BrF3N4O2S2 MolecularWeight: 651.56085

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C=CC(=C1)Br)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

Isomeric SMILES

CCSC1=C(C=CC(=C1)Br)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)NC4=C5C=CC(=CC5=NC=C4)C(F)(F)F

InChI

InChI=1S/C28H26BrF3N4O2S2/c1-2-39-27-18-20(29)4-10-26(27)35-13-15-36(16-14-35)40(37,38)22-7-5-21(6-8-22)34-24-11-12-33-25-17-19(28(30,31)32)3-9-23(24)25/h3-12,17-18H,2,13-16H2,1H3,(H,33,34)