[4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-quinolin-2-yl-methanone

Systemtic Name: [4-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-quinolin-2-yl-methanone Openeye Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-(2-quinolyl)methanone CAS Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-1-piperazinyl]-(2-quinolinyl)methanone IUPAC Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazin-1-yl]-quinolin-2-ylmethanone Traditional Name: [4-[4-chloro-3-(trifluoromethyl)phenyl]sulfonylpiperazino]-(2-quinolyl)methanone Formula: C21H17ClF3N3O3S MolecularWeight: 483.89119

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCN1C(=O)C2=NC3=CC=CC=C3C=C2)S(=O)(=O)C4=CC(=C(C=C4)Cl)C(F)(F)F

InChI

InChI=1S/C21H17ClF3N3O3S/c22-17-7-6-15(13-16(17)21(23,24)25)32(30,31)28-11-9-27(10-12-28)20(29)19-8-5-14-3-1-2-4-18(14)26-19/h1-8,13H,9-12H2