N-[2-fluoranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide

Systemtic Name: N-[2-fluoranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Openeye Name: N-[2-fluoro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide CAS Name: N-[2-fluoro-5-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-2-methyl-5-nitrobenzenesulfonamide IUPAC Name: N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-methyl-5-nitrobenzenesulfonamide Traditional Name: N-[2-fluoro-5-(4-keto-2-methyl-quinazolin-3-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C22H17FN4O5S MolecularWeight: 468.457583

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)C)F

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])S(=O)(=O)NC2=C(C=CC(=C2)N3C(=NC4=CC=CC=C4C3=O)C)F

InChI

InChI=1S/C22H17FN4O5S/c1-13-7-8-16(27(29)30)12-21(13)33(31,32)25-20-11-15(9-10-18(20)23)26-14(2)24-19-6-4-3-5-17(19)22(26)28/h3-12,25H,1-2H3