5-[[4-[(3-chloranyl-4-methoxy-phenyl)-propyl-amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-fluoranyl-3-methyl-benzenesulfonamide

Systemtic Name: 5-[[4-[(3-chloranyl-4-methoxy-phenyl)-propyl-amino]-5-fluoranyl-pyrimidin-2-yl]amino]-2-fluoranyl-3-methyl-benzenesulfonamide Openeye Name: 5-[[4-(3-chloro-4-methoxy-N-propyl-anilino)-5-fluoro-pyrimidin-2-yl]amino]-2-fluoro-3-methyl-benzenesulfonamide CAS Name: 5-[[4-(3-chloro-4-methoxy-N-propylanilino)-5-fluoro-2-pyrimidinyl]amino]-2-fluoro-3-methylbenzenesulfonamide IUPAC Name: 5-[[4-(3-chloro-4-methoxy-N-propylanilino)-5-fluoropyrimidin-2-yl]amino]-2-fluoro-3-methylbenzenesulfonamide Traditional Name: 5-[[4-(3-chloro-4-methoxy-N-propyl-anilino)-5-fluoro-pyrimidin-2-yl]amino]-2-fluoro-3-methyl-benzenesulfonamide Formula: C21H22ClF2N5O3S MolecularWeight: 497.945886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=CC(=C(C=C1)OC)Cl)C2=NC(=NC=C2F)NC3=CC(=C(C(=C3)C)F)S(=O)(=O)N

Isomeric SMILES

CCCN(C1=CC(=C(C=C1)OC)Cl)C2=NC(=NC=C2F)NC3=CC(=C(C(=C3)C)F)S(=O)(=O)N

InChI

InChI=1S/C21H22ClF2N5O3S/c1-4-7-29(14-5-6-17(32-3)15(22)10-14)20-16(23)11-26-21(28-20)27-13-8-12(2)19(24)18(9-13)33(25,30)31/h5-6,8-11H,4,7H2,1-3H3,(H2,25,30,31)(H,26,27,28)