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

Systemtic Name: N-[2-fluoranyl-5-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[2-fluoro-5-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[2-fluoro-5-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[2-fluoro-5-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[2-fluoro-5-(4-keto-2-methyl-quinazolin-3-yl)phenyl]-3-nitro-benzenesulfonamide Formula: C21H15FN4O5S MolecularWeight: 454.431003

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=O)N1C3=CC(=C(C=C3)F)NS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15FN4O5S/c1-13-23-19-8-3-2-7-17(19)21(27)25(13)14-9-10-18(22)20(12-14)24-32(30,31)16-6-4-5-15(11-16)26(28)29/h2-12,24H,1H3