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

Systemtic Name: N-[3-(4-azanyl-7-propan-2-yl-pyrrolo[2,3-d]pyrimidin-5-yl)carbonyl-4-fluoranyl-phenyl]-2-chloranyl-benzenesulfonamide Openeye Name: N-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-4-fluoro-phenyl]-2-chloro-benzenesulfonamide CAS Name: N-[3-[(4-amino-7-propan-2-yl-5-pyrrolo[2,3-d]pyrimidinyl)-oxomethyl]-4-fluorophenyl]-2-chlorobenzenesulfonamide IUPAC Name: N-[3-(4-amino-7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-4-fluorophenyl]-2-chlorobenzenesulfonamide Traditional Name: N-[3-(4-amino-7-isopropyl-pyrrolo[2,3-d]pyrimidine-5-carbonyl)-4-fluoro-phenyl]-2-chloro-benzenesulfonamide Formula: C22H19ClFN5O3S MolecularWeight: 487.934363

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4Cl)F

Isomeric SMILES

CC(C)N1C=C(C2=C1N=CN=C2N)C(=O)C3=C(C=CC(=C3)NS(=O)(=O)C4=CC=CC=C4Cl)F

InChI

InChI=1S/C22H19ClFN5O3S/c1-12(2)29-10-15(19-21(25)26-11-27-22(19)29)20(30)14-9-13(7-8-17(14)24)28-33(31,32)18-6-4-3-5-16(18)23/h3-12,28H,1-2H3,(H2,25,26,27)