1-[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole

Systemtic Name: 1-[1-(4-chloranyl-3-fluoranyl-phenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole Openeye Name: 1-[1-(4-chloro-3-fluoro-phenyl)sulfonyl-4-piperidyl]-5-(trifluoromethyl)benzotriazole CAS Name: 1-[1-(4-chloro-3-fluorophenyl)sulfonyl-4-piperidinyl]-5-(trifluoromethyl)benzotriazole IUPAC Name: 1-[1-(4-chloro-3-fluorophenyl)sulfonylpiperidin-4-yl]-5-(trifluoromethyl)benzotriazole Traditional Name: 1-[1-(4-chloro-3-fluoro-phenyl)sulfonyl-4-piperidyl]-5-(trifluoromethyl)benzotriazole Formula: C18H15ClF4N4O2S MolecularWeight: 462.848913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)S(=O)(=O)C4=CC(=C(C=C4)Cl)F

Isomeric SMILES

C1CN(CCC1N2C3=C(C=C(C=C3)C(F)(F)F)N=N2)S(=O)(=O)C4=CC(=C(C=C4)Cl)F

InChI

InChI=1S/C18H15ClF4N4O2S/c19-14-3-2-13(10-15(14)20)30(28,29)26-7-5-12(6-8-26)27-17-4-1-11(18(21,22)23)9-16(17)24-25-27/h1-4,9-10,12H,5-8H2