2,2,2-tris(fluoranyl)-N-(3-pentan-2-yloxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanesulfonamide

Systemtic Name: 2,2,2-tris(fluoranyl)-N-(3-pentan-2-yloxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanesulfonamide Openeye Name: 2,2,2-trifluoro-N-[3-(1-methylbutoxy)phenyl]-N-(pyrimidin-5-ylmethyl)ethanesulfonamide CAS Name: 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(5-pyrimidinylmethyl)ethanesulfonamide IUPAC Name: 2,2,2-trifluoro-N-(3-pentan-2-yloxyphenyl)-N-(pyrimidin-5-ylmethyl)ethanesulfonamide Traditional Name: 2,2,2-trifluoro-N-[3-(1-methylbutoxy)phenyl]-N-(5-pyrimidylmethyl)ethanesulfonamide Formula: C18H22F3N3O3S MolecularWeight: 417.44579

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C)OC1=CC=CC(=C1)N(CC2=CN=CN=C2)S(=O)(=O)CC(F)(F)F

Isomeric SMILES

CCCC(C)OC1=CC=CC(=C1)N(CC2=CN=CN=C2)S(=O)(=O)CC(F)(F)F

InChI

InChI=1S/C18H22F3N3O3S/c1-3-5-14(2)27-17-7-4-6-16(8-17)24(11-15-9-22-13-23-10-15)28(25,26)12-18(19,20)21/h4,6-10,13-14H,3,5,11-12H2,1-2H3