N-[(4-fluoranyl-2-propylsulfanyl-phenyl)methyl]-N-[(2-iodanylphenyl)-pyrimidin-5-yl-methyl]methanesulfonamide

Systemtic Name: N-[(4-fluoranyl-2-propylsulfanyl-phenyl)methyl]-N-[(2-iodanylphenyl)-pyrimidin-5-yl-methyl]methanesulfonamide Openeye Name: N-[(4-fluoro-2-propylsulfanyl-phenyl)methyl]-N-[(2-iodophenyl)-pyrimidin-5-yl-methyl]methanesulfonamide CAS Name: N-[[4-fluoro-2-(propylthio)phenyl]methyl]-N-[(2-iodophenyl)-(5-pyrimidinyl)methyl]methanesulfonamide IUPAC Name: N-[(4-fluoro-2-propylsulfanylphenyl)methyl]-N-[(2-iodophenyl)-pyrimidin-5-ylmethyl]methanesulfonamide Traditional Name: N-[4-fluoro-2-(propylthio)benzyl]-N-[(2-iodophenyl)-(5-pyrimidyl)methyl]methanesulfonamide Formula: C22H23FIN3O2S2 MolecularWeight: 571.469793

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC(=C1)F)CN(C(C2=CC=CC=C2I)C3=CN=CN=C3)S(=O)(=O)C

Isomeric SMILES

CCCSC1=C(C=CC(=C1)F)CN(C(C2=CC=CC=C2I)C3=CN=CN=C3)S(=O)(=O)C

InChI

InChI=1S/C22H23FIN3O2S2/c1-3-10-30-21-11-18(23)9-8-16(21)14-27(31(2,28)29)22(17-12-25-15-26-13-17)19-6-4-5-7-20(19)24/h4-9,11-13,15,22H,3,10,14H2,1-2H3