5-[[4-[[4-(dimethylsulfamoyl)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[[4-(dimethylsulfamoyl)phenyl]amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-[4-(dimethylsulfamoyl)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-[4-(dimethylsulfamoyl)anilino]-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-[4-(dimethylsulfamoyl)anilino]-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-[4-(dimethylsulfamoyl)anilino]-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C19H21FN6O4S2 MolecularWeight: 480.536243

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)S(=O)(=O)N(C)C)F)S(=O)(=O)N

Isomeric SMILES

CC1=C(C=C(C=C1)NC2=NC=C(C(=N2)NC3=CC=C(C=C3)S(=O)(=O)N(C)C)F)S(=O)(=O)N

InChI

InChI=1S/C19H21FN6O4S2/c1-12-4-5-14(10-17(12)31(21,27)28)24-19-22-11-16(20)18(25-19)23-13-6-8-15(9-7-13)32(29,30)26(2)3/h4-11H,1-3H3,(H2,21,27,28)(H2,22,23,24,25)