1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-pyrimidin-2-yl-piperidine-4-carboxamide

Systemtic Name: 1-[4-chloranyl-3-(trifluoromethyl)phenyl]sulfonyl-N-pyrimidin-2-yl-piperidine-4-carboxamide Openeye Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-pyrimidin-2-yl-piperidine-4-carboxamide CAS Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-pyrimidinyl)-4-piperidinecarboxamide IUPAC Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-pyrimidin-2-ylpiperidine-4-carboxamide Traditional Name: 1-[4-chloro-3-(trifluoromethyl)phenyl]sulfonyl-N-(2-pyrimidyl)isonipecotamide Formula: C17H16ClF3N4O3S MolecularWeight: 448.84715

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NC2=NC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

Isomeric SMILES

C1CN(CCC1C(=O)NC2=NC=CC=N2)S(=O)(=O)C3=CC(=C(C=C3)Cl)C(F)(F)F

InChI

InChI=1S/C17H16ClF3N4O3S/c18-14-3-2-12(10-13(14)17(19,20)21)29(27,28)25-8-4-11(5-9-25)15(26)24-16-22-6-1-7-23-16/h1-3,6-7,10-11H,4-5,8-9H2,(H,22,23,24,26)