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

Systemtic Name: N-[4-(4-azanyl-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoranyl-phenyl]benzenesulfonamide Openeye Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoro-phenyl]benzenesulfonamide CAS Name: N-[4-(4-amino-7-cyclopentyl-5-pyrrolo[2,3-d]pyrimidinyl)-2-fluorophenyl]benzenesulfonamide IUPAC Name: N-[4-(4-amino-7-cyclopentylpyrrolo[2,3-d]pyrimidin-5-yl)-2-fluorophenyl]benzenesulfonamide Traditional Name: N-[4-(4-amino-7-cyclopentyl-pyrrolo[2,3-d]pyrimidin-5-yl)-2-fluoro-phenyl]benzenesulfonamide Formula: C23H22FN5O2S MolecularWeight: 451.516483

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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=CC=C5)F

Isomeric SMILES

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

InChI

InChI=1S/C23H22FN5O2S/c24-19-12-15(10-11-20(19)28-32(30,31)17-8-2-1-3-9-17)18-13-29(16-6-4-5-7-16)23-21(18)22(25)26-14-27-23/h1-3,8-14,16,28H,4-7H2,(H2,25,26,27)