N-methyl-3-[2-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]phenyl]benzenesulfonamide

Systemtic Name: N-methyl-3-[2-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]phenyl]benzenesulfonamide Openeye Name: N-methyl-3-[2-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]phenyl]benzenesulfonamide CAS Name: N-methyl-3-[2-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]phenyl]benzenesulfonamide IUPAC Name: N-methyl-3-[2-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]phenyl]benzenesulfonamide Traditional Name: N-methyl-3-[2-[2-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)ethynyl]phenyl]benzenesulfonamide Formula: C21H16N4O2S MolecularWeight: 388.44234

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC(=C1)C2=CC=CC=C2C#CC3=C4C=CNC4=NC=N3

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC(=C1)C2=CC=CC=C2C#CC3=C4C=CNC4=NC=N3

InChI

InChI=1S/C21H16N4O2S/c1-22-28(26,27)17-7-4-6-16(13-17)18-8-3-2-5-15(18)9-10-20-19-11-12-23-21(19)25-14-24-20/h2-8,11-14,22H,1H3,(H,23,24,25)