2-[3-[[5-fluoranyl-2-(isoquinolin-1-ylamino)oxy-phenyl]amino]phenyl]benzenesulfonamide

Systemtic Name: 2-[3-[[5-fluoranyl-2-(isoquinolin-1-ylamino)oxy-phenyl]amino]phenyl]benzenesulfonamide Openeye Name: 2-[3-[5-fluoro-2-(1-isoquinolylamino)oxy-anilino]phenyl]benzenesulfonamide CAS Name: 2-[3-[5-fluoro-2-(1-isoquinolinylamino)oxyanilino]phenyl]benzenesulfonamide IUPAC Name: 2-[3-[5-fluoro-2-(isoquinolin-1-ylamino)oxyanilino]phenyl]benzenesulfonamide Traditional Name: 2-[3-[5-fluoro-2-(1-isoquinolylamino)oxy-anilino]phenyl]benzenesulfonamide Formula: C27H21FN4O3S MolecularWeight: 500.544043

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CN=C2NOC3=C(C=C(C=C3)F)NC4=CC=CC(=C4)C5=CC=CC=C5S(=O)(=O)N

Isomeric SMILES

C1=CC=C2C(=C1)C=CN=C2NOC3=C(C=C(C=C3)F)NC4=CC=CC(=C4)C5=CC=CC=C5S(=O)(=O)N

InChI

InChI=1S/C27H21FN4O3S/c28-20-12-13-25(35-32-27-23-10-2-1-6-18(23)14-15-30-27)24(17-20)31-21-8-5-7-19(16-21)22-9-3-4-11-26(22)36(29,33)34/h1-17,31H,(H,30,32)(H2,29,33,34)