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

Systemtic Name: N-[2-fluoranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide Openeye Name: N-[2-fluoro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide CAS Name: N-[2-fluoro-5-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide IUPAC Name: N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-4-methyl-3,5-dinitrobenzenesulfonamide Traditional Name: N-[2-fluoro-5-(4-keto-2-methyl-quinazolin-3-yl)phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C22H16FN5O7S MolecularWeight: 513.455143

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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)[N+](=O)[O-]

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)[N+](=O)[O-]

InChI

InChI=1S/C22H16FN5O7S/c1-12-20(27(30)31)10-15(11-21(12)28(32)33)36(34,35)25-19-9-14(7-8-17(19)23)26-13(2)24-18-6-4-3-5-16(18)22(26)29/h3-11,25H,1-2H3