3-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-8-piperazin-1-yl-quinoline

Systemtic Name: 3-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-8-piperazin-1-yl-quinoline Openeye Name: 3-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-8-piperazin-1-yl-quinoline CAS Name: 3-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-8-(1-piperazinyl)quinoline IUPAC Name: 3-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-8-piperazin-1-ylquinoline Traditional Name: 3-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-8-piperazino-quinoline Formula: C20H17BrF3N3O3S MolecularWeight: 516.33149

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F

Isomeric SMILES

C1CN(CCN1)C2=CC=CC3=CC(=CN=C32)S(=O)(=O)C4=C(C=C(C=C4)Br)OC(F)(F)F

InChI

InChI=1S/C20H17BrF3N3O3S/c21-14-4-5-18(17(11-14)30-20(22,23)24)31(28,29)15-10-13-2-1-3-16(19(13)26-12-15)27-8-6-25-7-9-27/h1-5,10-12,25H,6-9H2