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

Systemtic Name: 4-methyl-N-[3-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-3,5-dinitro-benzenesulfonamide Openeye Name: 4-methyl-N-[3-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-3,5-dinitro-benzenesulfonamide CAS Name: 4-methyl-N-[3-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-3,5-dinitrobenzenesulfonamide IUPAC Name: 4-methyl-N-[3-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-3,5-dinitrobenzenesulfonamide Traditional Name: N-[3-(4-keto-2-methyl-quinazolin-3-yl)phenyl]-4-methyl-3,5-dinitro-benzenesulfonamide Formula: C22H17N5O7S MolecularWeight: 495.46468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O7S/c1-13-20(26(29)30)11-17(12-21(13)27(31)32)35(33,34)24-15-6-5-7-16(10-15)25-14(2)23-19-9-4-3-8-18(19)22(25)28/h3-12,24H,1-2H3