3-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide

Systemtic Name: 3-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide Openeye Name: 3-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-N,N-dimethyl-benzenesulfonamide CAS Name: 3-[[[4-(4-fluorophenyl)-1-phthalazinyl]thio]methyl]-N,N-dimethylbenzenesulfonamide IUPAC Name: 3-[[4-(4-fluorophenyl)phthalazin-1-yl]sulfanylmethyl]-N,N-dimethylbenzenesulfonamide Traditional Name: 3-[[[4-(4-fluorophenyl)phthalazin-1-yl]thio]methyl]-N,N-dimethyl-benzenesulfonamide Formula: C23H20FN3O2S2 MolecularWeight: 453.552203

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

Isomeric SMILES

CN(C)S(=O)(=O)C1=CC=CC(=C1)CSC2=NN=C(C3=CC=CC=C32)C4=CC=C(C=C4)F

InChI

InChI=1S/C23H20FN3O2S2/c1-27(2)31(28,29)19-7-5-6-16(14-19)15-30-23-21-9-4-3-8-20(21)22(25-26-23)17-10-12-18(24)13-11-17/h3-14H,15H2,1-2H3