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

Systemtic Name: N-[2-methoxy-4-(2-methyl-4-oxidanylidene-quinazolin-3-yl)phenyl]-2-nitro-benzenesulfonamide Openeye Name: N-[2-methoxy-4-(2-methyl-4-oxo-quinazolin-3-yl)phenyl]-2-nitro-benzenesulfonamide CAS Name: N-[2-methoxy-4-(2-methyl-4-oxo-3-quinazolinyl)phenyl]-2-nitrobenzenesulfonamide IUPAC Name: N-[2-methoxy-4-(2-methyl-4-oxoquinazolin-3-yl)phenyl]-2-nitrobenzenesulfonamide Traditional Name: N-[4-(4-keto-2-methyl-quinazolin-3-yl)-2-methoxy-phenyl]-2-nitro-benzenesulfonamide Formula: C22H18N4O6S MolecularWeight: 466.46652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H18N4O6S/c1-14-23-17-8-4-3-7-16(17)22(27)25(14)15-11-12-18(20(13-15)32-2)24-33(30,31)21-10-6-5-9-19(21)26(28)29/h3-13,24H,1-2H3