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

Systemtic Name: N-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonylphenyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-fluoro-benzenesulfonamide CAS Name: N-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]phenyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-fluorobenzenesulfonamide Traditional Name: N-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)phenyl]-3-fluoro-benzenesulfonamide Formula: C22H20FN5O3S MolecularWeight: 453.489303

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)F

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=CC(=CC=C3)NS(=O)(=O)C4=CC=CC(=C4)F

InChI

InChI=1S/C22H20FN5O3S/c1-13(2)28-11-18(19-21(24)25-12-26-22(19)28)20(29)14-5-3-7-16(9-14)27-32(30,31)17-8-4-6-15(23)10-17/h3-13,27H,1-2H3,(H2,24,25,26)