4-fluoranyl-N-[1-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperidin-4-yl]benzenesulfonamide

Systemtic Name: 4-fluoranyl-N-[1-[3-(pyrimidin-2-ylamino)phenyl]carbonylpiperidin-4-yl]benzenesulfonamide Openeye Name: 4-fluoro-N-[1-[3-(pyrimidin-2-ylamino)benzoyl]-4-piperidyl]benzenesulfonamide CAS Name: 4-fluoro-N-[1-[oxo-[3-(2-pyrimidinylamino)phenyl]methyl]-4-piperidinyl]benzenesulfonamide IUPAC Name: 4-fluoro-N-[1-[3-(pyrimidin-2-ylamino)benzoyl]piperidin-4-yl]benzenesulfonamide Traditional Name: 4-fluoro-N-[1-[3-(2-pyrimidylamino)benzoyl]-4-piperidyl]benzenesulfonamide Formula: C22H22FN5O3S MolecularWeight: 455.505183

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

Isomeric SMILES

C1CN(CCC1NS(=O)(=O)C2=CC=C(C=C2)F)C(=O)C3=CC(=CC=C3)NC4=NC=CC=N4

InChI

InChI=1S/C22H22FN5O3S/c23-17-5-7-20(8-6-17)32(30,31)27-18-9-13-28(14-10-18)21(29)16-3-1-4-19(15-16)26-22-24-11-2-12-25-22/h1-8,11-12,15,18,27H,9-10,13-14H2,(H,24,25,26)