N-[5-[5-(dimethylamino)pent-1-ynyl]pyrimidin-2-yl]-4-(trifluoromethyl)benzenesulfonamide

Systemtic Name: N-[5-[5-(dimethylamino)pent-1-ynyl]pyrimidin-2-yl]-4-(trifluoromethyl)benzenesulfonamide Openeye Name: N-[5-[5-(dimethylamino)pent-1-ynyl]pyrimidin-2-yl]-4-(trifluoromethyl)benzenesulfonamide CAS Name: N-[5-[5-(dimethylamino)pent-1-ynyl]-2-pyrimidinyl]-4-(trifluoromethyl)benzenesulfonamide IUPAC Name: N-[5-[5-(dimethylamino)pent-1-ynyl]pyrimidin-2-yl]-4-(trifluoromethyl)benzenesulfonamide Traditional Name: N-[5-[5-(dimethylamino)pent-1-ynyl]pyrimidin-2-yl]-4-(trifluoromethyl)benzenesulfonamide Formula: C18H19F3N4O2S MolecularWeight: 412.42927

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCC#CC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

Isomeric SMILES

CN(C)CCCC#CC1=CN=C(N=C1)NS(=O)(=O)C2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C18H19F3N4O2S/c1-25(2)11-5-3-4-6-14-12-22-17(23-13-14)24-28(26,27)16-9-7-15(8-10-16)18(19,20)21/h7-10,12-13H,3,5,11H2,1-2H3,(H,22,23,24)