3,3,3-tris(fluoranyl)-1-(3-pentan-2-yloxyphenyl)-N-(pyrimidin-5-ylmethyl)propane-1-sulfonamide

Systemtic Name: 3,3,3-tris(fluoranyl)-1-(3-pentan-2-yloxyphenyl)-N-(pyrimidin-5-ylmethyl)propane-1-sulfonamide Openeye Name: 3,3,3-trifluoro-1-[3-(1-methylbutoxy)phenyl]-N-(pyrimidin-5-ylmethyl)propane-1-sulfonamide CAS Name: 3,3,3-trifluoro-1-(3-pentan-2-yloxyphenyl)-N-(5-pyrimidinylmethyl)-1-propanesulfonamide IUPAC Name: 3,3,3-trifluoro-1-(3-pentan-2-yloxyphenyl)-N-(pyrimidin-5-ylmethyl)propane-1-sulfonamide Traditional Name: 3,3,3-trifluoro-1-[3-(1-methylbutoxy)phenyl]-N-(5-pyrimidylmethyl)propane-1-sulfonamide Formula: C19H24F3N3O3S MolecularWeight: 431.47237

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=CC=CC(=C1)C(CC(F)(F)F)S(=O)(=O)NCC2=CN=CN=C2

Isomeric SMILES

CCCC(C)OC1=CC=CC(=C1)C(CC(F)(F)F)S(=O)(=O)NCC2=CN=CN=C2

InChI

InChI=1S/C19H24F3N3O3S/c1-3-5-14(2)28-17-7-4-6-16(8-17)18(9-19(20,21)22)29(26,27)25-12-15-10-23-13-24-11-15/h4,6-8,10-11,13-14,18,25H,3,5,9,12H2,1-2H3