N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoranyl-phenyl]-4-bromanyl-2-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoranyl-phenyl]-4-bromanyl-2-fluoranyl-benzenesulfonamide Openeye Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoro-phenyl]-4-bromo-2-fluoro-benzenesulfonamide CAS Name: N-[4-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-fluorophenyl]-4-bromo-2-fluorobenzenesulfonamide IUPAC Name: N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-4-bromo-2-fluorobenzenesulfonamide Traditional Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoro-phenyl]-4-bromo-2-fluoro-benzenesulfonamide Formula: C23H20BrF2N5O2S MolecularWeight: 548.403006

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=C(C=C(C=C5)Br)F)F

Isomeric SMILES

C1CCC(C1)N2C=C(C3=C2N=CN=C3N)C4=CC(=C(C=C4)NS(=O)(=O)C5=C(C=C(C=C5)Br)F)F

InChI

InChI=1S/C23H20BrF2N5O2S/c24-14-6-8-20(18(26)10-14)34(32,33)30-19-7-5-13(9-17(19)25)16-11-31(15-3-1-2-4-15)23-21(16)22(27)28-12-29-23/h5-12,15,30H,1-4H2,(H2,27,28,29)