N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-fluoranyl-3-(2-piperazin-1-ylpyrimidin-4-yl)oxy-benzamide

Systemtic Name: N-[5-tert-butyl-2-methoxy-3-(methylsulfonylamino)phenyl]-4-fluoranyl-3-(2-piperazin-1-ylpyrimidin-4-yl)oxy-benzamide Openeye Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-fluoro-3-(2-piperazin-1-ylpyrimidin-4-yl)oxy-benzamide CAS Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-[[2-(1-piperazinyl)-4-pyrimidinyl]oxy]benzamide IUPAC Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxyphenyl]-4-fluoro-3-(2-piperazin-1-ylpyrimidin-4-yl)oxybenzamide Traditional Name: N-[5-tert-butyl-3-(methanesulfonamido)-2-methoxy-phenyl]-4-fluoro-3-(2-piperazinopyrimidin-4-yl)oxy-benzamide Formula: C27H33FN6O5S MolecularWeight: 572.651523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C2=CC(=C(C=C2)F)OC3=NC(=NC=C3)N4CCNCC4

Isomeric SMILES

CC(C)(C)C1=CC(=C(C(=C1)NS(=O)(=O)C)OC)NC(=O)C2=CC(=C(C=C2)F)OC3=NC(=NC=C3)N4CCNCC4

InChI

InChI=1S/C27H33FN6O5S/c1-27(2,3)18-15-20(24(38-4)21(16-18)33-40(5,36)37)31-25(35)17-6-7-19(28)22(14-17)39-23-8-9-30-26(32-23)34-12-10-29-11-13-34/h6-9,14-16,29,33H,10-13H2,1-5H3,(H,31,35)