2-methyl-5-[4-[[3-(trifluoromethyl)phenyl]amino]phthalazin-1-yl]benzenesulfonamide

Systemtic Name: 2-methyl-5-[4-[[3-(trifluoromethyl)phenyl]amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: 2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide CAS Name: 2-methyl-5-[4-[3-(trifluoromethyl)anilino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: 2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide Traditional Name: 2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide Formula: C22H17F3N4O2S MolecularWeight: 458.45619

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC(=C4)C(F)(F)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NN=C(C3=CC=CC=C32)NC4=CC=CC(=C4)C(F)(F)F)S(=O)(=O)N

InChI

InChI=1S/C22H17F3N4O2S/c1-13-9-10-14(11-19(13)32(26,30)31)20-17-7-2-3-8-18(17)21(29-28-20)27-16-6-4-5-15(12-16)22(23,24)25/h2-12H,1H3,(H,27,29)(H2,26,30,31)