1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(2-cyclohexylpyrazol-3-yl)piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(2-cyclohexylpyrazol-3-yl)piperidine-4-carboxamide Openeye Name: N-(2-cyclohexylpyrazol-3-yl)-1-(2,5-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: N-(2-cyclohexyl-3-pyrazolyl)-1-(2,5-difluorophenyl)sulfonyl-4-piperidinecarboxamide IUPAC Name: N-(2-cyclohexylpyrazol-3-yl)-1-(2,5-difluorophenyl)sulfonylpiperidine-4-carboxamide Traditional Name: N-(2-cyclohexylpyrazol-3-yl)-1-(2,5-difluorophenyl)sulfonyl-isonipecotamide Formula: C21H26F2N4O3S MolecularWeight: 452.517946

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=CC=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F

Isomeric SMILES

C1CCC(CC1)N2C(=CC=N2)NC(=O)C3CCN(CC3)S(=O)(=O)C4=C(C=CC(=C4)F)F

InChI

InChI=1S/C21H26F2N4O3S/c22-16-6-7-18(23)19(14-16)31(29,30)26-12-9-15(10-13-26)21(28)25-20-8-11-24-27(20)17-4-2-1-3-5-17/h6-8,11,14-15,17H,1-5,9-10,12-13H2,(H,25,28)