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

Systemtic Name: N-tert-butyl-2-methyl-5-[4-[[3-(trifluoromethyl)phenyl]amino]phthalazin-1-yl]benzenesulfonamide Openeye Name: N-tert-butyl-2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide CAS Name: N-tert-butyl-2-methyl-5-[4-[3-(trifluoromethyl)anilino]-1-phthalazinyl]benzenesulfonamide IUPAC Name: N-tert-butyl-2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide Traditional Name: N-tert-butyl-2-methyl-5-[4-[3-(trifluoromethyl)anilino]phthalazin-1-yl]benzenesulfonamide Formula: C26H25F3N4O2S MolecularWeight: 514.56251

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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)NC(C)(C)C

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)NC(C)(C)C

InChI

InChI=1S/C26H25F3N4O2S/c1-16-12-13-17(14-22(16)36(34,35)33-25(2,3)4)23-20-10-5-6-11-21(20)24(32-31-23)30-19-9-7-8-18(15-19)26(27,28)29/h5-15,33H,1-4H3,(H,30,32)