benzenesulfonic acid; 2-(3-fluoranyl-4-phenyl-phenyl)-N-(1H-indazol-5-yl)quinazolin-4-amine

Systemtic Name: benzenesulfonic acid; 2-(3-fluoranyl-4-phenyl-phenyl)-N-(1H-indazol-5-yl)quinazolin-4-amine Openeye Name: benzenesulfonic acid; 2-(3-fluoro-4-phenyl-phenyl)-N-(1H-indazol-5-yl)quinazolin-4-amine CAS Name: benzenesulfonic acid; 2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)-4-quinazolinamine IUPAC Name: benzenesulfonic acid; 2-(3-fluoro-4-phenylphenyl)-N-(1H-indazol-5-yl)quinazolin-4-amine Traditional Name: besylic acid; [2-(3-fluoro-4-phenyl-phenyl)quinazolin-4-yl]-(1H-indazol-5-yl)amine Formula: C33H24FN5O3S MolecularWeight: 589.638763

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=N3)NC5=CC6=C(C=C5)NN=C6)F.C1=CC=C(C=C1)S(=O)(=O)O

Isomeric SMILES

C1=CC=C(C=C1)C2=C(C=C(C=C2)C3=NC4=CC=CC=C4C(=N3)NC5=CC6=C(C=C5)NN=C6)F.C1=CC=C(C=C1)S(=O)(=O)O

InChI

InChI=1S/C27H18FN5.C6H6O3S/c28-23-15-18(10-12-21(23)17-6-2-1-3-7-17)26-31-25-9-5-4-8-22(25)27(32-26)30-20-11-13-24-19(14-20)16-29-33-24;7-10(8,9)6-4-2-1-3-5-6/h1-16H,(H,29,33)(H,30,31,32);1-5H,(H,7,8,9)