5-[[4-[(3,4-dichlorophenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[(3,4-dichlorophenyl)amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Openeye Name: 5-[[4-(3,4-dichloroanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide CAS Name: 5-[[4-(3,4-dichloroanilino)-5-fluoro-2-pyrimidinyl]amino]-2-methylbenzenesulfonamide IUPAC Name: 5-[[4-(3,4-dichloroanilino)-5-fluoropyrimidin-2-yl]amino]-2-methylbenzenesulfonamide Traditional Name: 5-[[4-(3,4-dichloroanilino)-5-fluoro-pyrimidin-2-yl]amino]-2-methyl-benzenesulfonamide Formula: C17H14Cl2FN5O2S MolecularWeight: 442.294763

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H14Cl2FN5O2S/c1-9-2-3-11(7-15(9)28(21,26)27)24-17-22-8-14(20)16(25-17)23-10-4-5-12(18)13(19)6-10/h2-8H,1H3,(H2,21,26,27)(H2,22,23,24,25)