N-[2-[(3-tert-butylphenyl)amino]quinolin-5-yl]-3,5-bis(fluoranyl)benzenesulfonamide

Systemtic Name: N-[2-[(3-tert-butylphenyl)amino]quinolin-5-yl]-3,5-bis(fluoranyl)benzenesulfonamide Openeye Name: N-[2-(3-tert-butylanilino)-5-quinolyl]-3,5-difluoro-benzenesulfonamide CAS Name: N-[2-(3-tert-butylanilino)-5-quinolinyl]-3,5-difluorobenzenesulfonamide IUPAC Name: N-[2-(3-tert-butylanilino)quinolin-5-yl]-3,5-difluorobenzenesulfonamide Traditional Name: N-[2-(3-tert-butylanilino)-5-quinolyl]-3,5-difluoro-benzenesulfonamide Formula: C25H23F2N3O2S MolecularWeight: 467.530826

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC(=CC=C1)NC2=NC3=C(C=C2)C(=CC=C3)NS(=O)(=O)C4=CC(=CC(=C4)F)F

Isomeric SMILES

CC(C)(C)C1=CC(=CC=C1)NC2=NC3=C(C=C2)C(=CC=C3)NS(=O)(=O)C4=CC(=CC(=C4)F)F

InChI

InChI=1S/C25H23F2N3O2S/c1-25(2,3)16-6-4-7-19(12-16)28-24-11-10-21-22(29-24)8-5-9-23(21)30-33(31,32)20-14-17(26)13-18(27)15-20/h4-15,30H,1-3H3,(H,28,29)