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

Systemtic Name: N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoranyl-phenyl]-3,4-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoro-phenyl]-3,4-difluoro-benzenesulfonamide CAS Name: N-[4-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-fluorophenyl]-3,4-difluorobenzenesulfonamide IUPAC Name: N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]-3,4-difluorobenzenesulfonamide Traditional Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoro-phenyl]-3,4-difluoro-benzenesulfonamide Formula: C23H20F3N5O2S MolecularWeight: 487.49741

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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=CC(=C(C=C5)F)F)F

Isomeric SMILES

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

InChI

InChI=1S/C23H20F3N5O2S/c24-17-7-6-15(10-18(17)25)34(32,33)30-20-8-5-13(9-19(20)26)16-11-31(14-3-1-2-4-14)23-21(16)22(27)28-12-29-23/h5-12,14,30H,1-4H2,(H2,27,28,29)