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

Systemtic Name: 2-methyl-N-[4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-5-nitro-benzenesulfonamide Openeye Name: 2-methyl-N-[4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-5-nitro-benzenesulfonamide CAS Name: 2-methyl-N-[4-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-5-nitrobenzenesulfonamide IUPAC Name: 2-methyl-N-[4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-5-nitrobenzenesulfonamide Traditional Name: N-[4-(4-keto-2-methyl-quinazolin-3-yl)phenyl]-2-methyl-5-nitro-benzenesulfonamide Formula: C22H18N4O5S MolecularWeight: 450.46712

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O5S/c1-14-7-10-18(26(28)29)13-21(14)32(30,31)24-16-8-11-17(12-9-16)25-15(2)23-20-6-4-3-5-19(20)22(25)27/h3-13,24H,1-2H3