2-methyl-5-[[2-[(4-prop-2-ynoxyphenyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide

Systemtic Name: 2-methyl-5-[[2-[(4-prop-2-ynoxyphenyl)amino]-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide Openeye Name: 2-methyl-5-[[2-(4-prop-2-ynoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide CAS Name: 2-methyl-5-[[2-(4-prop-2-ynoxyanilino)-5-(trifluoromethyl)-4-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 2-methyl-5-[[2-(4-prop-2-ynoxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide Traditional Name: 2-methyl-5-[[2-(4-propargyloxyanilino)-5-(trifluoromethyl)pyrimidin-4-yl]amino]benzenesulfonamide Formula: C21H18F3N5O3S MolecularWeight: 477.45953

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)OCC#C)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC(=NC=C2C(F)(F)F)NC3=CC=C(C=C3)OCC#C)S(=O)(=O)N

InChI

InChI=1S/C21H18F3N5O3S/c1-3-10-32-16-8-6-14(7-9-16)28-20-26-12-17(21(22,23)24)19(29-20)27-15-5-4-13(2)18(11-15)33(25,30)31/h1,4-9,11-12H,10H2,2H3,(H2,25,30,31)(H2,26,27,28,29)